Geometry & MOs

Info

ID:	218388
PubChem CID:	85089264
Reduced:	N2O5C26H34 (1)
Stoich.:	A2B5C26D34 (1)
Weight, g/mol:	454.30831
ΔH_f, kcal/mol:	-200.25
Dipole, Da:	6.38
IP(EA), eV:	-9.3(0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,2,6b,9,9,12a-hexamethyl-10,13-dioxo-3,4,5,6,6a,6a,7,8,8a,14,14a,14b-dodecahydro-1H-picene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CNC(=O)C(CC1=CC=CC=C1)NC(=O)C(CCCCCOCC2=CC=CC=C2)CC(=O)O

DOS

IR

Vibrations