Geometry & MOs

Info

ID:

80722

PubChem CID:

49836399

Reduced:

N3O3H11C14 (1)

Stoich.:

A3B3C11D14 (1)

Weight, g/mol:

663.222606

ΔHf, kcal/mol:

28.86

Dipole, Da:

4.98

IP(EA), eV:

 -8.71(-1.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(5S)-N-[(2S,3R)-3-hydroxy-4-[(4-methoxyphenyl)sulfonyl-(2-methylpropyl)amino]-1-phenylbutan-2-yl]-2-oxo-3-[2-(trifluoromethyl)phenyl]-1,3-oxazolidine-5-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N=C(N2)C3=CC(=CC=C3)[N+](=O)[O-]

DOS

IR

Vibrations