Geometry & MOs

Info

ID:	394081
PubChem CID:	135022300
Reduced:	O3C24H28 (1)
Stoich.:	A3B24C28 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-81.5
Dipole, Da:	1.05
IP(EA), eV:	-8.19(-0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (1S,3S,5R,7R,8S,11S,12S)-5-methoxy-8,11-dimethyl-9-oxotetracyclo[6.6.0.01,11.03,7]tetradecane-12-carboxylate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)/C=C\2/C3=CC(=C(C=C3COC24CCCCC4)OC)OC

DOS

IR

Vibrations