Geometry & MOs

Info

ID:	243273
PubChem CID:	99218138
Reduced:	ClSO3N5H14C17 (1)
Stoich.:	ABC3D5E14F17 (1)
Weight, g/mol:	399.092059
ΔH_f, kcal/mol:	46.81
Dipole, Da:	5.51
IP(EA), eV:	-9.2(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]-1-pyridin-2-ylpiperidine-3-carboxamide

Drug info:

PubChemData

Smile

CCNC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)C3=CC=CC=C3Cl)[N+](=O)[O-]

DOS

IR

Vibrations