Geometry & MOs

Info

ID:

181036

PubChem CID:

76715548

Reduced:

SN3O7C45H49 (1)

Stoich.:

AB3C7D45E49 (1)

Weight, g/mol:

767.281127

ΔHf, kcal/mol:

-166.93

Dipole, Da:

4.04

IP(EA), eV:

 -8.81(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-N-(1-methylcyclopropyl)sulfonyl-2,15-dioxo-18-(3-thiophen-2-ylquinoxalin-2-yl)oxy-16-azatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)C(=CC(=N2)C3=CC=CC=C3)OC4CC5C(=O)CC6(CC6C=CCCCCCC(C(=O)N5C4)CC7=CC=CC=C7)C(=O)NS(=O)(=O)C8CC8

DOS

IR

Vibrations