Geometry & MOs

Info

ID:	40730
PubChem CID:	8144599
Reduced:	N3O4C22H25 (1)
Stoich.:	A3B4C22D25 (1)
Weight, g/mol:	337.115679
ΔH_f, kcal/mol:	-68.38
Dipole, Da:	6.25
IP(EA), eV:	-8.55(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

5-(4-ethylanilino)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CN(CC2=NC(=O)C3=CC(=C(C=C3N2)OC)OC)C4CC4

DOS

IR

Vibrations