Geometry & MOs

Info

ID:

81525

PubChem CID:

49854827

Reduced:

BrSN5O5H20C27 (1)

Stoich.:

ABC5D5E20F27 (1)

Weight, g/mol:

578.04235

ΔHf, kcal/mol:

3.26

Dipole, Da:

6.01

IP(EA), eV:

 -9.28(-2.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[8-bromo-3-(3-fluoro-4-methylphenyl)sulfonyl-2-oxoimidazo[4,5-c]quinolin-1-yl]phenyl]-2-methylpropanenitrile

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)[N+](=O)[O-])S(=O)(=O)N2C3=CN=C4C=CC(=CC4=C3N(C2=O)C5=CC=C(C=C5)C(C)(C)C#N)Br

DOS

IR

Vibrations