Geometry & MOs

Info

ID:	53927
PubChem CID:	14718397
Reduced:	O7C26H26 (1)
Stoich.:	A7B26C26 (1)
Weight, g/mol:	442.30831
ΔH_f, kcal/mol:	-244.23
Dipole, Da:	7.24
IP(EA), eV:	-9.08(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 10-hydroxy-2,4a,6b,12a-tetramethyl-13-oxo-3,4,5,6,6a,6a,7,8,8a,9,10,11,12,14b-tetradecahydro-1H-picene-2-carboxylate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)CC2CCCC2O)C(=O)OCC3=CC(=O)OC4=CC5=C(C=C34)OCO5

DOS

IR

Vibrations