Geometry & MOs

Info

ID:	328090
PubChem CID:	126692020
Reduced:	N3O5F6C35H37 (1)
Stoich.:	A3B5C6D35E37 (1)
Weight, g/mol:	651.21679
ΔH_f, kcal/mol:	-462.24
Dipole, Da:	6.74
IP(EA), eV:	-8.88(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]-4-methylpyridin-3-yl]-4-hydroxyphenyl]propanoate

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H](OC(N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CC(C5)CC(=O)OC)OC)O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

C[C@H]1[C@H](OC(N1CC2=C(C=CC(=N2)N3CCC3)C4=C(C=CC(=C4)C5CC(C5)CC(=O)OC)OC)O)C6=CC(=CC(=C6)C(F)(F)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):