Geometry & MOs

Info

ID:	261211
PubChem CID:	103222539
Reduced:	ICl2H13C18 (1)
Stoich.:	AB2C13D18 (1)
Weight, g/mol:	379.88832
ΔH_f, kcal/mol:	57.14
Dipole, Da:	2.49
IP(EA), eV:	-8.98(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-amino-2-(3-chloro-4-iodophenyl)-1,3-thiazole-4-carboxylic acid

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2CC(C3=CC(=C(C=C3)I)Cl)Cl

DOS

IR

Vibrations