Geometry & MOs

Info

ID:	289908
PubChem CID:	104385630
Reduced:	N3O3C14H21 (1)
Stoich.:	A3B3C14D21 (1)
Weight, g/mol:	258.060903
ΔH_f, kcal/mol:	-121.71
Dipole, Da:	8.33
IP(EA), eV:	-8.96(-0.47)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-piperidin-1-yl-2-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]ethanone

Drug info:

PubChemData

Smile

CCC1=NC(=CC(=C1)C(=O)O)NCC(=O)N(CC)CC

DOS

IR

Vibrations