Geometry & MOs

Info

ID:	58012
PubChem CID:	24398228
Reduced:	ClN3S3O4H16C18 (1)
Stoich.:	AB3C3D4E16F18 (1)
Weight, g/mol:	445.88113
ΔH_f, kcal/mol:	-60.59
Dipole, Da:	4.6
IP(EA), eV:	-8.88(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(5-chlorothiophen-2-yl)-1,3-thiazol-2-yl]-2-iodobenzamide

Drug info:

PubChemData

Smile

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C(=O)NC3=NC(=CS3)C4=CC=C(S4)Cl

DOS

IR

Vibrations