Geometry & MOs

Info

ID:	382473
PubChem CID:	134973665
Reduced:	ClO9C22H31 (1)
Stoich.:	AB9C22D31 (1)
Weight, g/mol:	284.198759
ΔH_f, kcal/mol:	-410.15
Dipole, Da:	2.71
IP(EA), eV:	-9.08(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1R,2S,3S)-3-methyl-2-[(2S)-1-[(2-methylpropan-2-yl)oxy]-1-oxopropan-2-yl]cyclohexane-1-carboxylate

Drug info:

PubChemData

Smile

CC1C(C(CC(O1)OC2C(OC(CC2O)OC)C)OC(=O)C3=C(C=CC(=C3C)Cl)OC)O

DOS

IR

Vibrations