Geometry & MOs

Info

ID:	125289
PubChem CID:	50918826
Reduced:	O4C15H20 (1)
Stoich.:	A4B15C20 (1)
Weight, g/mol:	302.22458
ΔH_f, kcal/mol:	-97.63
Dipole, Da:	1.69
IP(EA), eV:	-9.61(0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4S,5S,9S,12R,13S,14S)-9,13-dimethylpentacyclo[11.2.1.01,10.04,9.012,14]hexadecane-5-carboxylate

Drug info:

PubChemData

Smile

CC1=C[C@H]2[C@@]([C@@H]3[C@H]1O3)([C@@]4([C@@H](C[C@@H](C45CO5)O2)O)C)C

DOS

IR

Vibrations