Geometry & MOs

Info

ID:

178140

PubChem CID:

76285253

Reduced:

O4N5H29C35 (1)

Stoich.:

A4B5C29D35 (1)

Weight, g/mol:

626.194754

ΔHf, kcal/mol:

-16.03

Dipole, Da:

2.45

IP(EA), eV:

 -8.51(-0.95)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[5-[1-[4-[(2S)-2-hydroxy-1,3-dioxo-6,7,8,8a-tetrahydro-5H-indolizin-7-yl]phenyl]-3-methyl-2-oxoimidazo[4,5-c]quinolin-8-yl]-2-methylpyridin-3-yl]methanesulfonamide

Drug info:

PubChemData

Smile

CN1C2=CN=C3C=CC(=CC3=C2N(C1=O)C4=CC=C(C=C4)C5CCN6C(C5)C(=O)[C@@H](C6=O)O)C7=CN(C=C7)C8=CC=CC=C8

DOS

IR

Vibrations