Geometry & MOs

Info

ID:

181068

PubChem CID:

76715580

Reduced:

N2O5C43H46 (1)

Stoich.:

A2B5C43D46 (1)

Weight, g/mol:

868.365191

ΔHf, kcal/mol:

-126.29

Dipole, Da:

4.51

IP(EA), eV:

 -8.98(-0.65)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

14-anilino-18-[7-methoxy-8-methyl-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,15-dioxo-N-pyrrolidin-1-ylsulfonyl-16-azatricyclo[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=CC(=NC6=C5C=CC(=C6)C)C7=CC=CC=C7)C(=O)O

DOS

IR

Vibrations