Geometry & MOs

Info

ID:	124677
PubChem CID:	50892053
Reduced:	ClNSO4C18H20 (1)
Stoich.:	ABCD4E18F20 (1)
Weight, g/mol:	404.975998
ΔH_f, kcal/mol:	-145.82
Dipole, Da:	1.26
IP(EA), eV:	-9.28(-1.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(N-(2,5-dichlorophenyl)sulfonyl-2,6-dimethylanilino)acetyl chloride

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)N(CCCC(=O)O)S(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations