Geometry & MOs

Info

ID:	139549
PubChem CID:	52554968
Reduced:	SO3N4C25H28 (1)
Stoich.:	AB3C4D25E28 (1)
Weight, g/mol:	401.012959
ΔH_f, kcal/mol:	-68.35
Dipole, Da:	3.34
IP(EA), eV:	-9.28(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-3-(ethoxycarbamoyl)phenyl]sulfonyl-(3-chloro-4-methylphenyl)azanide

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)SCC2=CC=CC=C2)CCC(=O)N(C)CC3=CC=C(C=C3)C(=O)NC

DOS

IR

Vibrations