Geometry & MOs

Info

ID:	261016
PubChem CID:	103214328
Reduced:	ClIOF2H8C14 (1)
Stoich.:	ABCD2E8F14 (1)
Weight, g/mol:	362.89816
ΔH_f, kcal/mol:	-71.26
Dipole, Da:	5.52
IP(EA), eV:	-9.72(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-chloro-4-iodophenyl)-2-(1,3-thiazol-5-yl)ethanone

Drug info:

PubChemData

Smile

CC1=C(C(=C(C=C1)F)C(=O)C2=CC(=C(C=C2)I)Cl)F

DOS

IR

Vibrations