Geometry & MOs

Info

ID:	40581
PubChem CID:	8144371
Reduced:	SN4O4C19H29 (1)
Stoich.:	AB4C4D19E29 (1)
Weight, g/mol:	338.117452
ΔH_f, kcal/mol:	-164.49
Dipole, Da:	13.17
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.778412
Charge, e:	1

Chem-info

IUPAC name:

5-(3,4-dimethoxyphenyl)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-oxadiazole-2-thione

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)[NH+](C)CC(=O)NC(C)(C)C)C

DOS

IR

Vibrations