Geometry & MOs

Info

ID:	304496
PubChem CID:	124756029
Reduced:	FOSN4C19H23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	374.157661
ΔH_f, kcal/mol:	-6.24
Dipole, Da:	5.64
IP(EA), eV:	-9.13(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CCN([C@@H](C1)C2=CC=C(C=C2)F)CCC(=O)NC3=NN=C(S3)C4CC4

DOS

IR

Vibrations