Geometry & MOs

Info

ID:	365251
PubChem CID:	127317596
Reduced:	SN2O2C21H22 (1)
Stoich.:	AB2C2D21E22 (1)
Weight, g/mol:	388.218449
ΔH_f, kcal/mol:	-35.6
Dipole, Da:	3.65
IP(EA), eV:	-8.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[3-(4-ethyl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone

Drug info:

PubChemData

Smile

CCC1=CSC(=N1)C2CCCN(C2)C(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations