Geometry & MOs

Info

ID:	397994
PubChem CID:	135031295
Reduced:	O3C16H18 (1)
Stoich.:	A3B16C18 (1)
Weight, g/mol:	344.104859
ΔH_f, kcal/mol:	-110.87
Dipole, Da:	3.21
IP(EA), eV:	-9.42(0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(12S)-7,9-dihydroxy-5-methylpentacyclo[10.7.2.01,10.03,8.013,18]henicosa-3(8),4,6,9,13,15,17,20-octaene-2,11-dione

Drug info:

PubChemData

Smile

CC1(OC2CC[C@H]3C4=CC=CC=C4C[C@@]2(C3=O)O1)C

DOS

IR

Vibrations