Geometry & MOs

Info

ID:	328055
PubChem CID:	126691885
Reduced:	N3O5F6C34H35 (1)
Stoich.:	A3B5C6D34E35 (1)
Weight, g/mol:	651.21679
ΔH_f, kcal/mol:	-457.12
Dipole, Da:	6.24
IP(EA), eV:	-8.84(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[3-[6-(azetidin-1-yl)-2-[[(5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-2-oxo-1,3-oxazolidin-3-yl]methyl]pyridin-3-yl]-4-methoxyphenyl]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)N3CC(C3)(F)F)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)OC)O)C6=CC(=CC(=C6)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)N3CC(C3)(F)F)C4=C(C=CC(=C4)C5CCC(CC5)C(=O)O)OC)O)C6=CC(=CC(=C6)F)C(F)(F)F

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):