Geometry & MOs

Info

ID:	189016
PubChem CID:	77803638
Reduced:	OF2N4H22C23 (1)
Stoich.:	AB2C4D22E23 (1)
Weight, g/mol:	372.140868
ΔH_f, kcal/mol:	37.23
Dipole, Da:	3.36
IP(EA), eV:	-8.68(-1.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methyl-4-[3-[3-(2-methyl-5-phenyltriazol-4-yl)phenyl]prop-2-enyl]-1,3-thiazole

Drug info:

PubChemData

Smile

C1CN(CCC1C2=NC(=O)C3C(=N2)C=CC=C3F)CCC4=CNC5=C4C=CC(=C5)F

DOS

IR

Vibrations