Geometry & MOs

Info

ID:	232219
PubChem CID:	87575733
Reduced:	SN2O2C5H6 (1)
Stoich.:	AB2C2D5E6 (1)
Weight, g/mol:	459.99179
ΔH_f, kcal/mol:	-60.08
Dipole, Da:	1.59
IP(EA), eV:	-9.18(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(difluoromethyl)-N-[2-(1lambda3-iodacyclohexa-1,5-dien-4-yl)phenyl]-2-methyl-1,3-thiazole-5-carboxamide

Drug info:

PubChemData

Smile

CC1=CN=C(S1)NC(=O)O

DOS

IR

Vibrations