Geometry & MOs

Info

ID:	262408
PubChem CID:	103291571
Reduced:	ClSN2O2H13C14 (1)
Stoich.:	ABC2D2E13F14 (1)
Weight, g/mol:	304.097855
ΔH_f, kcal/mol:	31.8
Dipole, Da:	7.87
IP(EA), eV:	-8.79(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-N-[(2-chloro-6-methoxyphenyl)methyl]-4-methylbenzamide

Drug info:

PubChemData

Smile

CNC1=CC(=CC(=C1)SCC2=CC=CC=C2Cl)[N+](=O)[O-]

DOS

IR

Vibrations