Geometry & MOs

Info

ID:	920
PubChem CID:	3533
Reduced:	SO2N3C8H17 (1)
Stoich.:	AB2C3D8E17 (1)
Weight, g/mol:	219.104148
ΔH_f, kcal/mol:	-90.99
Dipole, Da:	3.46
IP(EA), eV:	-9.07(0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-amino-4-[2-(1-aminoethylideneamino)ethylsulfanyl]butanoic acid

Drug info:

PubChemData

Smile

CC(=NCCSCCC(C(=O)O)N)N

DOS

IR

Vibrations