Geometry & MOs

Info

ID:	53496
PubChem CID:	14716369
Reduced:	SN3O3C22H25 (1)
Stoich.:	AB3C3D22E25 (1)
Weight, g/mol:	207.056529
ΔH_f, kcal/mol:	2.65
Dipole, Da:	7.99
IP(EA), eV:	-8.99(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-methoxypropanoylamino)-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)O.CC1=CC2=C(C=C1)C(=NC2=NCC=C)NCC=C

DOS

IR

Vibrations