Geometry & MOs

Info

ID:	196188
PubChem CID:	78794222
Reduced:	SO2N3C20H25 (1)
Stoich.:	AB2C3D20E25 (1)
Weight, g/mol:	405.135842
ΔH_f, kcal/mol:	-39.53
Dipole, Da:	4.11
IP(EA), eV:	-8.05(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-tert-butyl-N-[4-(dimethylsulfamoyl)phenyl]-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)NC2=CC=C(C=C2)N3CCN(CC3)C

DOS

IR

Vibrations