Geometry & MOs

Info

ID:	251406
PubChem CID:	103103742
Reduced:	SO3N4C9H16 (1)
Stoich.:	AB3C4D9E16 (1)
Weight, g/mol:	249.147727
ΔH_f, kcal/mol:	-110.16
Dipole, Da:	5.46
IP(EA), eV:	-9.94(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-amino-2-oxoethyl)-3-(2-aminophenyl)-N-ethylpropanamide

Drug info:

PubChemData

Smile

CCC1=NC=C(N1)S(=O)(=O)N(CC)CC(=O)N

DOS

IR

Vibrations