Geometry & MOs

Info

ID:

181100

PubChem CID:

76715612

Reduced:

S2N4O7C43H48 (1)

Stoich.:

A2B4C7D43E48 (1)

Weight, g/mol:

946.342741

ΔHf, kcal/mol:

-151.73

Dipole, Da:

5.82

IP(EA), eV:

 -8.61(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[3-(methanesulfonamido)anilino]-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1(CC1)S(=O)(=O)NC(=O)C23CC2C=CCCCCCC(C(=O)N4CC(CC4C(=O)C3)OC5=NC6=C(C=C(C=C6)OC)N=C5C7=CC=CS7)CC8=CC=CC=C8

DOS

IR

Vibrations