Geometry & MOs

Info

ID:	128391
PubChem CID:	51042616
Reduced:	NPO4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	515.177982
ΔH_f, kcal/mol:	-183.05
Dipole, Da:	5.25
IP(EA), eV:	-8.7(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-methoxyphenyl)-3-[(2,4,5-triphenylimidazol-1-yl)methyl]-1H-1,2,4-triazole-5-thione

Drug info:

PubChemData

Smile

CCOP(=O)(/C=C/1\C2=C(C=CC(=C2)C(C)C)N(C1=O)CC3=CC=CC=C3)OCC

DOS

IR

Vibrations