Geometry & MOs

Info

ID:	284482
PubChem CID:	104050049
Reduced:	SCl2N2O2C14H14 (1)
Stoich.:	AB2C2D2E14F14 (1)
Weight, g/mol:	327.015449
ΔH_f, kcal/mol:	-49.65
Dipole, Da:	1.75
IP(EA), eV:	-9.23(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(4-chlorophenyl)sulfanylmethyl]-1,3-thiazol-4-yl]-2-methylpropanoic acid

Drug info:

PubChemData

Smile

CCOC(=O)C(C)(C)C1=CSC(=N1)C2=C(C=C(C=N2)Cl)Cl

DOS

IR

Vibrations