Geometry & MOs

Info

ID:	4451
PubChem CID:	11426
Reduced:	NSO2C5H10 (2)
Stoich.:	ABC2D5E10 (2)
Weight, g/mol:	296.086449
ΔH_f, kcal/mol:	-189.42
Dipole, Da:	2.69
IP(EA), eV:	-9.35(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-amino-3-[(2-amino-3-ethoxy-3-oxopropyl)disulfanyl]propanoate

Drug info:

PubChemData

Smile

CCOC(=O)C(CSSCC(C(=O)OCC)N)N

DOS

IR

Vibrations