Geometry & MOs

Info

ID:	251230
PubChem CID:	103102345
Reduced:	SN2O2C9H20 (1)
Stoich.:	AB2C2D9E20 (1)
Weight, g/mol:	231.100777
ΔH_f, kcal/mol:	-97.98
Dipole, Da:	7.6
IP(EA), eV:	-9.05(1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-cyano-N-ethylbenzamide

Drug info:

PubChemData

Smile

CCN(CCN)CC1CCS(=O)(=O)C1

DOS

IR

Vibrations