Geometry & MOs

Info

ID:	53497
PubChem CID:	14716373
Reduced:	NSO4C7H13 (1)
Stoich.:	ABC4D7E13 (1)
Weight, g/mol:	220.088164
ΔH_f, kcal/mol:	-183.26
Dipole, Da:	4.37
IP(EA), eV:	-9.45(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-(dimethylamino)propanoylamino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

COCCC(=O)NC(CS)C(=O)O

DOS

IR

Vibrations