Geometry & MOs

Info

ID:	196752
PubChem CID:	78874446
Reduced:	ON2H12C16 (1)
Stoich.:	AB2C12D16 (1)
Weight, g/mol:	427.069216
ΔH_f, kcal/mol:	55.47
Dipole, Da:	2.79
IP(EA), eV:	-8.94(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[4-(4-chlorophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-propan-2-yl-1,3-thiazole

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=CN2)C(=O)/C=C/C3=CN=CC=C3

DOS

IR

Vibrations