Geometry & MOs

Info

ID:	40787
PubChem CID:	8144697
Reduced:	SO2N5C19H25 (1)
Stoich.:	AB2C5D19E25 (1)
Weight, g/mol:	273.084379
ΔH_f, kcal/mol:	-14.87
Dipole, Da:	1.16
IP(EA), eV:	-8.58(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CCN1C(=O)C2=CC=CC=C2N3C1=NN(C3=S)CN4CCOCC4

DOS

IR

Vibrations