Geometry & MOs

Info

ID:	155092
PubChem CID:	56320678
Reduced:	INO3C20H20 (1)
Stoich.:	ABC3D20E20 (1)
Weight, g/mol:	368.02649
ΔH_f, kcal/mol:	-39.04
Dipole, Da:	4.9
IP(EA), eV:	-8.8(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)phenyl]-1,3-thiazole-4-carboxamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C(=C1)C(=O)N2CCC(=CC2)C3=CC=CC=C3)I)OC

DOS

IR

Vibrations