Geometry & MOs

Info

ID:	133655
PubChem CID:	51570071
Reduced:	ClN3O7H8C17 (1)
Stoich.:	AB3C7D8E17 (1)
Weight, g/mol:	374.166414
ΔH_f, kcal/mol:	37.95
Dipole, Da:	12.63
IP(EA), eV:	-9.44(-6.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2S)-3-methylbutan-2-yl]benzamide

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1C(=O)[O-])C2=CC=C(O2)/C=C/C3=NC(=C(C(=O)N3)[N+](=O)[O-])[O-])Cl

DOS

IR

Vibrations