Geometry & MOs

Info

ID:	18343
PubChem CID:	539728
Reduced:	NSO4C8H15 (1)
Stoich.:	ABC4D8E15 (1)
Weight, g/mol:	221.072179
ΔH_f, kcal/mol:	-186.21
Dipole, Da:	3.83
IP(EA), eV:	-9.19(0.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(=O)NC(CSCCO)C(=O)OC

DOS

IR

Vibrations