Geometry & MOs

Info

ID:	392055
PubChem CID:	135012380
Reduced:	O3H16C19 (1)
Stoich.:	A3B16C19 (1)
Weight, g/mol:	420.315894
ΔH_f, kcal/mol:	-44.64
Dipole, Da:	3.81
IP(EA), eV:	-8.6(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(7R,9S)-5-chloro-2,16-dimethyl-15-(6-methylheptan-2-yl)-8-oxapentacyclo[9.7.0.02,7.07,9.012,16]octadecane

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(C1=O)C2=C(C=CC3=CC=CC=C32)OC)C

DOS

IR

Vibrations