Geometry & MOs

Info

ID:	40753
PubChem CID:	8144646
Reduced:	SO2N4C22H26 (1)
Stoich.:	AB2C4D22E26 (1)
Weight, g/mol:	416.107375
ΔH_f, kcal/mol:	13.49
Dipole, Da:	3.31
IP(EA), eV:	-8.41(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(4-chlorophenyl)-5-(3-methoxyphenyl)-2-(morpholin-4-ylmethyl)-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C)OCC2=NN(C(=S)N2C3=CC=CC=C3)CN4CCOCC4

DOS

IR

Vibrations