Geometry & MOs

Info

ID:	251042
PubChem CID:	103101072
Reduced:	SO3N5C7H13 (1)
Stoich.:	AB3C5D7E13 (1)
Weight, g/mol:	236.127326
ΔH_f, kcal/mol:	-94.03
Dipole, Da:	6.55
IP(EA), eV:	-9.46(-0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-amino-4-[(2-amino-2-oxoethyl)-ethylamino]benzamide

Drug info:

PubChemData

Smile

CCN(CC(=O)N)S(=O)(=O)C1=C(NN=C1)N

DOS

IR

Vibrations