Geometry & MOs

Info

ID:	40864
PubChem CID:	8144863
Reduced:	SO2N4C16H16 (1)
Stoich.:	AB2C4D16E16 (1)
Weight, g/mol:	361.152064
ΔH_f, kcal/mol:	-19.33
Dipole, Da:	1.23
IP(EA), eV:	-9.1(-1.23)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

3-[(4-benzylpiperidin-1-ium-1-yl)methyl]-5-(prop-2-enylamino)-1,3,4-thiadiazole-2-thione

Drug info:

PubChemData

Smile

CNC(=O)CNCC1=NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations