Geometry & MOs

Info

ID:	328026
PubChem CID:	126691781
Reduced:	N3O5F6H31C32 (1)
Stoich.:	A3B5C6D31E32 (1)
Weight, g/mol:	605.211311
ΔH_f, kcal/mol:	-434.85
Dipole, Da:	3.22
IP(EA), eV:	-8.65(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5R)-3-[[6-(azetidin-1-yl)-3-(5-cyclopropyl-2-methoxyphenyl)pyridin-2-yl]methyl]-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-1,3-oxazolidin-2-one

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)[C@@H]5C[C@H]5C(=O)O)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)[C@@H]5C[C@H]5C(=O)O)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):