Geometry & MOs

Info

ID:	124692
PubChem CID:	50892761
Reduced:	SCl2N2O3C16H16 (1)
Stoich.:	AB2C2D3E16F16 (1)
Weight, g/mol:	418.991648
ΔH_f, kcal/mol:	-97.04
Dipole, Da:	4.69
IP(EA), eV:	-9.32(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(3,4-dichlorophenyl)sulfonyl-4-ethylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)N(CC(=O)N)S(=O)(=O)C2=CC(=C(C=C2)Cl)Cl

DOS

IR

Vibrations