Geometry & MOs

Info

ID:

181196

PubChem CID:

76715709

Reduced:

FS2N4O7C50H61 (1)

Stoich.:

AB2C4D7E50F61 (1)

Weight, g/mol:

777.322991

ΔHf, kcal/mol:

-224.03

Dipole, Da:

9.8

IP(EA), eV:

 -8.78(-1.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-amino-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=C(C=CC(=C1)CC(CCCCCC=C)C(=O)N2CC(CC2C(=O)CC3(CC3C=C)C(=O)NS(=O)(=O)C4(CC4)C)OC5=CC(=NC6=C5C=CC(=C6C)OC)C7=NC(=CS7)C(C)C)F

DOS

IR

Vibrations