Geometry & MOs

Info

ID:	132335
PubChem CID:	51345111
Reduced:	S2N3O7C24H25 (1)
Stoich.:	A2B3C7D24E25 (1)
Weight, g/mol:	486.161329
ΔH_f, kcal/mol:	-118.81
Dipole, Da:	6.08
IP(EA), eV:	-8.59(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-(4-phenoxyphenyl)acetamide

Drug info:

PubChemData

Smile

COC1=CC(=C(C=C1)N(CC(=O)NCCSC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3[N+](=O)[O-])OC

DOS

IR

Vibrations