Geometry & MOs

Info

ID:	40661
PubChem CID:	8144488
Reduced:	ClOSN4C14H17 (1)
Stoich.:	ABCD4E14F17 (1)
Weight, g/mol:	412.156912
ΔH_f, kcal/mol:	28.53
Dipole, Da:	3.01
IP(EA), eV:	-8.4(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(3,4-dimethoxyphenyl)-2-(morpholin-4-ylmethyl)-5-phenyl-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

CN1C(=NN(C1=S)CN2CCOCC2)C3=CC=C(C=C3)Cl

DOS

IR

Vibrations