Geometry & MOs

Info

ID:	124774
PubChem CID:	50895546
Reduced:	NSO3Cl6H7C14 (1)
Stoich.:	ABC3D6E7F14 (1)
Weight, g/mol:	433.007298
ΔH_f, kcal/mol:	-104.95
Dipole, Da:	5.8
IP(EA), eV:	-9.72(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2,5-dichlorophenyl)sulfonyl-4-propan-2-ylanilino)propanoyl chloride

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1S(=O)(=O)N(CC(=O)Cl)C2=CC(=C(C=C2Cl)Cl)Cl)Cl)Cl

DOS

IR

Vibrations