Geometry & MOs

Info

ID:	251435
PubChem CID:	103103912
Reduced:	SN3O3C13H17 (1)
Stoich.:	AB3C3D13E17 (1)
Weight, g/mol:	251.126991
ΔH_f, kcal/mol:	-54.8
Dipole, Da:	5.43
IP(EA), eV:	-9.61(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-amino-3-[(2-amino-2-oxoethyl)-ethylamino]benzoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations