Geometry & MOs

Info

ID:	283100
PubChem CID:	103958137
Reduced:	SN2O6C10H20 (1)
Stoich.:	AB2C6D10E20 (1)
Weight, g/mol:	261.103479
ΔH_f, kcal/mol:	-272.27
Dipole, Da:	7.93
IP(EA), eV:	-10.24(-0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-hydroxy-3-[[2-(thian-4-yl)acetyl]amino]propanoate

Drug info:

PubChemData

Smile

CCCS(=O)(=O)NC(C)C(=O)NCC(C(=O)OC)O

DOS

IR

Vibrations