Geometry & MOs

Info

ID:	57181
PubChem CID:	22395438
Reduced:	SC3O4H8 (1)
Stoich.:	AB3C4D8 (1)
Weight, g/mol:	391.217932
ΔH_f, kcal/mol:	-163.35
Dipole, Da:	3.99
IP(EA), eV:	-10.74(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(2-aminopropanoylamino)-5-oxopentanoic acid;2-amino-5-(diaminomethylideneamino)pentanoic acid

Drug info:

PubChemData

Smile

CC=C.OS(=O)(=O)O

DOS

IR

Vibrations