Geometry & MOs

Info

ID:	168979
PubChem CID:	75049153
Reduced:	NaO5C27H33 (1)
Stoich.:	AB5C27D33 (1)
Weight, g/mol:	453.251523
ΔH_f, kcal/mol:	-112.57
Dipole, Da:	36.77
IP(EA), eV:	-7.85(-2.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

8-benzoyloxy-12-hydroxyimino-2,6,13-trimethyltetracyclo[11.2.1.01,10.02,7]hexadecane-6-carboxylic acid

Drug info:

PubChemData

Smile

CC12CCC3(C1)C(CC(C4C3(CCCC4(C)C(=O)[O-])C)OC(=O)C5=CC=CC=C5)CC2=O.[Na+]

DOS

IR

Vibrations