Geometry & MOs

Info

ID:	39366
PubChem CID:	8140498
Reduced:	SO2N3C21H27 (1)
Stoich.:	AB2C3D21E27 (1)
Weight, g/mol:	342.169191
ΔH_f, kcal/mol:	-53.72
Dipole, Da:	3.75
IP(EA), eV:	-8.65(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[2-[(dimethylamino)methyl]phenyl]methyl]-4-(methylamino)-3-nitrobenzamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)CSCC(=O)NCC2=CC=CC=C2CN(C)C

DOS

IR

Vibrations