Geometry & MOs

Info

ID:

181136

PubChem CID:

76715648

Reduced:

S3N5O7C44H53 (1)

Stoich.:

A3B5C7D44E53 (1)

Weight, g/mol:

763.307341

ΔHf, kcal/mol:

-166.77

Dipole, Da:

1.72

IP(EA), eV:

 -8.54(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-amino-18-[7-methoxy-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=CC2=C1N=C(C=C2OC3CC4C(=O)CC5(CC5C=CCCCCCC(C(=O)N4C3)CC6=NC=CS6)C(=O)NS(=O)(=O)C7(CC7)C)C8=NC(=CS8)C(C)C)OC

DOS

IR

Vibrations