Geometry & MOs

Info

ID:	385734
PubChem CID:	134979863
Reduced:	O3C23H36 (1)
Stoich.:	A3B23C36 (1)
Weight, g/mol:	384.178418
ΔH_f, kcal/mol:	-160.31
Dipole, Da:	1.54
IP(EA), eV:	-9.32(0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,6E,14R,16R,17R)-16,17-dimethoxy-16,17-dimethyl-8-methylidene-3,12,15,18-tetraoxabicyclo[12.4.0]octadec-6-ene-2,13-dione

Drug info:

PubChemData

Smile

CC(=CC1C[C@]2([C@@H]3CCC(=C)C([C@]3(CC[C@@H]2O1)C)CCC(=O)OC)C)C

DOS

IR

Vibrations