Geometry & MOs

Info

ID:	252162
PubChem CID:	103109524
Reduced:	SN3O3C13H19 (1)
Stoich.:	AB3C3D13E19 (1)
Weight, g/mol:	285.111341
ΔH_f, kcal/mol:	-43.02
Dipole, Da:	6.55
IP(EA), eV:	-8.59(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-N-[(2-methyl-3-nitrophenyl)methyl]benzamide

Drug info:

PubChemData

Smile

CC1=C(C=CC=C1[N+](=O)[O-])CNC(=O)[C@H](CCSC)N

DOS

IR

Vibrations