Geometry & MOs

Info

ID:	405540
PubChem CID:	135074330
Reduced:	Cl2O5C30H32 (1)
Stoich.:	A2B5C30D32 (1)
Weight, g/mol:	286.229666
ΔH_f, kcal/mol:	-141.9
Dipole, Da:	2.32
IP(EA), eV:	-8.88(-0.51)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4S,10R,14S)-5,5,9-trimethyl-15-methylidenetetracyclo[8.6.0.01,14.04,9]hexadecan-13-one

Drug info:

PubChemData

Smile

C/C(=C\CC1=C(C=C(C=C1)OCOC2=CC=C(C=C2)Cl)OCOC3=CC=C(C=C3)Cl)/CC[C@@H]4C(O4)(C)C

DOS

IR

Vibrations