Geometry & MOs

Info

ID:

179783

PubChem CID:

76532464

Reduced:

O3C17H24 (1)

Stoich.:

A3B17C24 (1)

Weight, g/mol:

861.355354

ΔHf, kcal/mol:

-137.52

Dipole, Da:

4.82

IP(EA), eV:

 -9.13(-0.61)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-cyclopropylsulfonyl-18-[2-(4-cyclopropyl-1,3-thiazol-2-yl)-7-methoxy-8-methylquinolin-4-yl]oxy-14-[[methyl(propan-2-yl)carbamoyl]amino]-2,15-dioxo-3,16-diazatricyclo[14.3.0.04,6]nonadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CCCCCC1=C(C2=C(CC(O2)C(C)(C)O)C=C1)C=O

DOS

IR

Vibrations