Geometry & MOs

Info

ID:	132653
PubChem CID:	51393292
Reduced:	ON4C20H20 (1)
Stoich.:	AB4C20D20 (1)
Weight, g/mol:	403.031944
ΔH_f, kcal/mol:	70.78
Dipole, Da:	7.87
IP(EA), eV:	-9.1(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-chloro-5-(phenylcarbamoyl)phenyl]sulfonyl-(4-fluorophenyl)azanide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C2=NC3=NC=NN3[C@H](C2)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations