Geometry & MOs

Info

ID:	168817
PubChem CID:	75022747
Reduced:	ClNO4C22H26 (1)
Stoich.:	ABC4D22E26 (1)
Weight, g/mol:	420.287574
ΔH_f, kcal/mol:	-152.88
Dipole, Da:	3.21
IP(EA), eV:	-8.4(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

14-hydroxy-5,9-dimethyl-14-(3-methylbutanoyloxymethyl)tetracyclo[11.2.1.01,10.04,9]hexadecane-5-carboxylic acid

Drug info:

PubChemData

Smile

CCCCC1=C(C(=O)C(C1=O)(C)CN2C3C(CCO3)(C4=C2C=CC(=C4)Cl)O)C

DOS

IR

Vibrations