Geometry & MOs

Info

ID:	40760
PubChem CID:	8144657
Reduced:	N2O2C27H28 (1)
Stoich.:	A2B2C27D28 (1)
Weight, g/mol:	379.1604
ΔH_f, kcal/mol:	21.54
Dipole, Da:	4.95
IP(EA), eV:	-8.9(-0.22)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCOC1=CC=C(C=C1)/C=N\NC(=O)[C@H]2CC2(C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations