Geometry & MOs

Info

ID:	43621
PubChem CID:	10321554
Reduced:	ClF2N2O2C24H29 (1)
Stoich.:	AB2C2D2E24F29 (1)
Weight, g/mol:	450.083863
ΔH_f, kcal/mol:	-169.26
Dipole, Da:	2.81
IP(EA), eV:	-8.86(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(4-chlorobenzoyl)-5,7-dihydro-4H-thieno[2,3-c]thiopyran-2-yl]-2-(3-hydroxypiperidin-1-yl)acetamide

Drug info:

PubChemData

Smile

CCCCCCCN(C1CCCOC2=C1C=CC=C2Cl)C(=O)NC3=C(C=C(C=C3)F)F

DOS

IR

Vibrations