Geometry & MOs

Info

ID:	69854
PubChem CID:	47205573
Reduced:	S2N3O3C12H19 (1)
Stoich.:	A2B3C3D12E19 (1)
Weight, g/mol:	290.09498
ΔH_f, kcal/mol:	-111.96
Dipole, Da:	5.38
IP(EA), eV:	-9.47(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-pyrimidin-2-yl-N-(1,3,4-thiadiazol-2-yl)piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CCNC(=O)CN2CCS(=O)(=O)CC2

DOS

IR

Vibrations