Geometry & MOs

Info

ID:	54427
PubChem CID:	17388663
Reduced:	O5C25H36 (1)
Stoich.:	A5B25C36 (1)
Weight, g/mol:	372.23006
ΔH_f, kcal/mol:	-216.47
Dipole, Da:	1.87
IP(EA), eV:	-9.36(0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(6S)-6-acetyl-7,11-dimethyl-5-oxapentacyclo[8.8.0.02,7.04,6.011,16]octadec-16-en-14-yl] acetate

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C3CCC4(C(C3CC=C2C1)CC5[C@]4(O5)C(=O)CCOC)C)C

DOS

IR

Vibrations