Geometry & MOs

Info

ID:	14708
PubChem CID:	418653
Reduced:	O6C25H36 (1)
Stoich.:	A6B25C36 (1)
Weight, g/mol:	432.251189
ΔH_f, kcal/mol:	-328.78
Dipole, Da:	7.58
IP(EA), eV:	-10.66(0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7-acetyloxy-10,14-dimethyl-17-oxo-18-oxapentacyclo[13.3.2.01,14.02,11.05,10]icosan-16-yl)acetic acid

Drug info:

PubChemData

Smile

CC(=O)OC1CCC2(C(C1)CCC3C2CCC4(C35CCC4C(C(=O)O5)CC(=O)O)C)C

DOS

IR

Vibrations