Geometry & MOs

Info

ID:	194241
PubChem CID:	78503454
Reduced:	FOSN5C16H20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	363.15291
ΔH_f, kcal/mol:	-8.99
Dipole, Da:	7.88
IP(EA), eV:	-9.72(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2,6-dimethylpiperidin-1-yl)-2-[1-(3-fluorophenyl)tetrazol-5-yl]sulfanylpropan-1-one

Drug info:

PubChemData

Smile

CC(C(=O)NC1CCCCC1)SC2=NN=NN2C3=CC(=CC=C3)F

DOS

IR

Vibrations