Geometry & MOs

Info

ID:	165721
PubChem CID:	74586809
Reduced:	SN2O3H15C19 (1)
Stoich.:	AB2C3D15E19 (1)
Weight, g/mol:	352.088164
ΔH_f, kcal/mol:	-39.65
Dipole, Da:	5.03
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.082743
Charge, e:	0

Chem-info

IUPAC name:

2-phenyl-2-[[2-(2-phenyl-1,3-thiazol-4-yl)acetyl]amino]acetic acid

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=NC(=CS2)CC(=O)NC(C3=CC=CC=C3)C(=O)[O-]

DOS

IR

Vibrations