Geometry & MOs

Info

ID:	261136
PubChem CID:	103219240
Reduced:	ClINO3C15H17 (1)
Stoich.:	ABCD3E15F17 (1)
Weight, g/mol:	435.91454
ΔH_f, kcal/mol:	-113.0
Dipole, Da:	5.66
IP(EA), eV:	-9.92(-1.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[(3-chloro-4-iodobenzoyl)amino]ethyl]-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1CCC(C(C1)CNC(=O)C2=CC(=C(C=C2)I)Cl)C(=O)O

DOS

IR

Vibrations