Geometry & MOs

Info

ID:	139026
PubChem CID:	52461222
Reduced:	O2N3C21H21 (1)
Stoich.:	A2B3C21D21 (1)
Weight, g/mol:	455.144569
ΔH_f, kcal/mol:	-1.01
Dipole, Da:	9.36
IP(EA), eV:	-8.56(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-chloro-5-[2-[di(propan-2-yl)azaniumyl]ethylcarbamoyl]phenyl]sulfonyl-(4-fluorophenyl)azanide

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3=C(N2)C=CC(=C3)C(=O)N(CCC#N)CC4=CC=CO4

DOS

IR

Vibrations