Geometry & MOs

Info

ID:

186525

PubChem CID:

77442744

Reduced:

NO2C10H14 (2)

Stoich.:

AB2C10D14 (2)

Weight, g/mol:

771.252719

ΔHf, kcal/mol:

-193.5

Dipole, Da:

3.26

IP(EA), eV:

 -9.63(-0.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-butan-2-ylsulfonyl-17-[8-chloro-7-methoxy-2-(4-propan-2-yl-1,3-thiazol-2-yl)quinolin-4-yl]oxy-2,14-dioxo-3,15-diazatricyclo[13.3.0.04,6]octadec-7-ene-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)N1CCC2C1CCC2NC(=O)OCC3=CC=CC=C3

DOS

IR

Vibrations