Geometry & MOs

Info

ID:	394082
PubChem CID:	135022303
Reduced:	O4C19H28 (1)
Stoich.:	A4B19C28 (1)
Weight, g/mol:	320.198759
ΔH_f, kcal/mol:	-207.85
Dipole, Da:	4.15
IP(EA), eV:	-9.7(0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@]12CC(=O)[C@@]3([C@@]1(CC[C@@H]2C(=O)OC)C[C@@H]4[C@H]3C[C@@H](C4)OC)C

DOS

IR

Vibrations