Geometry & MOs

Info

ID:	55938
PubChem CID:	17397618
Reduced:	OSN3C18H19 (1)
Stoich.:	ABC3D18E19 (1)
Weight, g/mol:	374.123504
ΔH_f, kcal/mol:	30.9
Dipole, Da:	6.22
IP(EA), eV:	-9.26(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(piperidin-1-ylmethyl)-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)benzamide

Drug info:

PubChemData

Smile

CN(C)CC1=CC=CC=C1CNC(=O)C2=CC3=C(C=C2)N=CS3

DOS

IR

Vibrations