Geometry & MOs

Info

ID:	40565
PubChem CID:	8144340
Reduced:	SN4O4C19H20 (1)
Stoich.:	AB4C4D19E20 (1)
Weight, g/mol:	337.115679
ΔH_f, kcal/mol:	-6.87
Dipole, Da:	4.82
IP(EA), eV:	-8.59(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N(C2=S)CN4CCOCC4

DOS

IR

Vibrations