Geometry & MOs

Info

ID:	646
PubChem CID:	3132
Reduced:	NSO3C12H15 (1)
Stoich.:	ABC3D12E15 (1)
Weight, g/mol:	253.077265
ΔH_f, kcal/mol:	-115.67
Dipole, Da:	5.76
IP(EA), eV:	-9.53(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-benzyl-3-sulfanylpropanoyl)amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)CC(CS)C(=O)NCC(=O)O

DOS

IR

Vibrations