Geometry & MOs

Info

ID:	9727
PubChem CID:	92657
Reduced:	NSO5C9H13 (1)
Stoich.:	ABC5D9E13 (1)
Weight, g/mol:	247.051444
ΔH_f, kcal/mol:	-199.93
Dipole, Da:	5.12
IP(EA), eV:	-8.96(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-carboxyprop-2-enoylamino)-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CSCCC(C(=O)O)NC(=O)C=CC(=O)O

DOS

IR

Vibrations