Geometry & MOs

Info

ID:	304495
PubChem CID:	124756018
Reduced:	OSN4C19H22 (1)
Stoich.:	ABC4D19E22 (1)
Weight, g/mol:	374.157661
ΔH_f, kcal/mol:	31.64
Dipole, Da:	6.15
IP(EA), eV:	-8.95(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)-3-[(2S)-2-(4-fluorophenyl)piperidin-1-yl]propanamide

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2N=C1[C@@H]3CCCN3CC(=O)NCC4=CC=CS4

DOS

IR

Vibrations