Geometry & MOs

Info

ID:	132331
PubChem CID:	51344156
Reduced:	BrClSN2O3H20C22 (1)
Stoich.:	ABCD2E3F20G22 (1)
Weight, g/mol:	452.117271
ΔH_f, kcal/mol:	-70.82
Dipole, Da:	10.9
IP(EA), eV:	-8.57(-1.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-(oxolan-2-ylmethyl)acetamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)N(CC(=O)NC2=C(C=C(C=C2)Cl)C)C3=CC=C(C=C3)Br

DOS

IR

Vibrations