Geometry & MOs

Info

ID:	43622
PubChem CID:	10321555
Reduced:	ClN2S2O3C21H23 (1)
Stoich.:	AB2C2D3E21F23 (1)
Weight, g/mol:	450.083863
ΔH_f, kcal/mol:	-98.2
Dipole, Da:	5.25
IP(EA), eV:	-8.52(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC(CN(C1)CC(=O)NC2=C(C3=C(S2)CSCC3)C(=O)C4=CC=C(C=C4)Cl)O

DOS

IR

Vibrations