Geometry & MOs

Info

ID:	40575
PubChem CID:	8144363
Reduced:	O2S2N4C19H20 (1)
Stoich.:	A2B2C4D19E20 (1)
Weight, g/mol:	395.13085
ΔH_f, kcal/mol:	41.55
Dipole, Da:	5.13
IP(EA), eV:	-8.41(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-chlorophenyl)-2-(morpholin-4-ium-4-ylmethyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazole-3-thione

Drug info:

PubChemData

Smile

C1COCCN1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

DOS

IR

Vibrations