Geometry & MOs

Info

ID:	63201
PubChem CID:	26750103
Reduced:	SN2O4C21H34 (1)
Stoich.:	AB2C4D21E34 (1)
Weight, g/mol:	407.115107
ΔH_f, kcal/mol:	-189.9
Dipole, Da:	7.31
IP(EA), eV:	-9.44(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[[(2S)-1-methoxypropan-2-yl]sulfamoyl]phenyl]-2-methyl-3-nitrobenzamide

Drug info:

PubChemData

Smile

C[C@@H](COC)NS(=O)(=O)C1=CC=C(C=C1)NC(=O)C2CCC(CC2)C(C)(C)C

DOS

IR

Vibrations