Geometry & MOs

Info

ID:

181116

PubChem CID:

76715628

Reduced:

SN3O7C37H43 (1)

Stoich.:

AB3C7D37E43 (1)

Weight, g/mol:

878.34954

ΔHf, kcal/mol:

-180.76

Dipole, Da:

3.25

IP(EA), eV:

 -9.18(-0.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-[(4-cyanophenyl)methyl]-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-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)CC2CCCCCC=CC3CC3(CC(=O)C4CC(CN4C2=O)OC5=NC6=CC=CC=C6O5)C(=O)NS(=O)(=O)C7CC7

DOS

IR

Vibrations