Geometry & MOs

Info

ID:	410365
PubChem CID:	135083160
Reduced:	O3C27H32 (1)
Stoich.:	A3B27C32 (1)
Weight, g/mol:	320.235145
ΔH_f, kcal/mol:	-72.56
Dipole, Da:	2.89
IP(EA), eV:	-9.27(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,3R,4R,7R,9R,10S,13R,15R)-7,10,15-trimethyl-4-propan-2-yl-14,16-dioxapentacyclo[8.4.2.01,9.03,7.013,15]hexadecan-4-ol

Drug info:

PubChemData

Smile

C[C@]12CCCC3([C@@]1(CCC4C2C(O4)(C5=CC=CC=C5)C6=CC=CC=C6)C)OCCO3

DOS

IR

Vibrations