Geometry & MOs

Info

ID:	40566
PubChem CID:	8144341
Reduced:	OS2N4C15H21 (1)
Stoich.:	AB2C4D15E21 (1)
Weight, g/mol:	337.115679
ΔH_f, kcal/mol:	65.14
Dipole, Da:	12.96
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.851856
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCOCC3)C

DOS

IR

Vibrations