Geometry & MOs

Info

ID:	342493
PubChem CID:	127265648
Reduced:	N2O2S2H16C17 (1)
Stoich.:	A2B2C2D16E17 (1)
Weight, g/mol:	307.158372
ΔH_f, kcal/mol:	-7.99
Dipole, Da:	2.75
IP(EA), eV:	-8.21(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[1-[3-(4-fluorophenyl)prop-2-enyl]piperidin-4-yl]-2-hydroxyacetate

Drug info:

PubChemData

Smile

CC(=CC1=CC(=C(C=C1)OC)SC)C2=NC3=C(C=CS3)C(=O)N2

DOS

IR

Vibrations