Geometry & MOs

Info

ID:	20362
PubChem CID:	583331
Reduced:	NSO4C10H19 (1)
Stoich.:	ABC4D10E19 (1)
Weight, g/mol:	249.103479
ΔH_f, kcal/mol:	-202.25
Dipole, Da:	3.64
IP(EA), eV:	-9.09(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-acetamido-3-(2-hydroxybutylsulfanyl)propanoate

Drug info:

PubChemData

Smile

CCC(CSCC(C(=O)OC)NC(=O)C)O

DOS

IR

Vibrations