Geometry & MOs

Info

ID:	138837
PubChem CID:	52433042
Reduced:	SCl2N2O2H14C18 (1)
Stoich.:	AB2C2D2E14F18 (1)
Weight, g/mol:	415.07574
ΔH_f, kcal/mol:	-8.83
Dipole, Da:	7.05
IP(EA), eV:	-8.85(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-[3-(2-acetamido-1,3-thiazol-4-yl)phenyl]-2-(4-chlorophenyl)-2-methoxyacetamide

Drug info:

PubChemData

Smile

CO[C@@H](C1=CC=CC=C1Cl)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations