Geometry & MOs

Info

ID:	1414
PubChem CID:	4363
Reduced:	SN2O4C9H16 (1)
Stoich.:	AB2C4D9E16 (1)
Weight, g/mol:	248.083078
ΔH_f, kcal/mol:	-186.12
Dipole, Da:	4.61
IP(EA), eV:	-9.09(0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-formamido-4-methylsulfanylbutanoyl)amino]propanoic acid

Drug info:

PubChemData

Smile

CC(C(=O)O)NC(=O)C(CCSC)NC=O

DOS

IR

Vibrations