Geometry & MOs

Info

ID:

427240

PubChem CID:

135156378

Reduced:

NSO3C15H15 (1)

Stoich.:

ABC3D15E15 (1)

Weight, g/mol:

640.220096

ΔHf, kcal/mol:

-78.18

Dipole, Da:

3.49

IP(EA), eV:

 -8.94(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-chloro-3-[2-methyl-3-[[5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]pyridine-2-carbonyl]amino]phenyl]phenyl]-5-[[(3S)-3-hydroxypyrrolidin-1-yl]methyl]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC2=CC=CC=C2C3=C1N=C(C3(C)S(=O)(=O)O)C

DOS

IR

Vibrations