Geometry & MOs

Info

ID:	403115
PubChem CID:	135058804
Reduced:	SN2O2C13H18 (1)
Stoich.:	AB2C2D13E18 (1)
Weight, g/mol:	313.142641
ΔH_f, kcal/mol:	-47.28
Dipole, Da:	5.86
IP(EA), eV:	-9.52(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-tert-butyl-2-(4-nitroanilino)benzamide

Drug info:

PubChemData

Smile

C/C=C/C1CCN(S(=O)(=O)N1)CC2=CC=CC=C2

DOS

IR

Vibrations