Geometry & MOs

Info

ID:	137343
PubChem CID:	52192869
Reduced:	ClO2N3C19H22 (1)
Stoich.:	AB2C3D19E22 (1)
Weight, g/mol:	333.230394
ΔH_f, kcal/mol:	-71.09
Dipole, Da:	4.78
IP(EA), eV:	-8.27(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S,3aR,4R,5E,9Z,11aS)-4-hydroxy-6,10-dimethyl-3-(piperidin-1-ylmethyl)-3a,4,7,8,11,11a-hexahydro-3H-cyclodeca[b]furan-2-one

Drug info:

PubChemData

Smile

C[C@H](C1=CC=CC=C1Cl)NC(=O)NC2=CC=C(C=C2)NC(=O)C(C)C

DOS

IR

Vibrations