Geometry & MOs

Info

ID:	168679
PubChem CID:	75001372
Reduced:	O4C13H19 (2)
Stoich.:	A4B13C19 (2)
Weight, g/mol:	524.313789
ΔH_f, kcal/mol:	-352.74
Dipole, Da:	5.31
IP(EA), eV:	-9.52(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

11-methoxycarbonyl-2,2,6a,6b,9,9,12a-heptamethyl-10,14-dioxo-1,3,4,5,6,7,8,8a,14a,14b-decahydropicene-4a-carboxylic acid

Drug info:

PubChemData

Smile

CC1C(CCC2(C1C(C3CC(=O)C(=C(C3(C)C)C(C2OC(=O)C)OC(=O)C)C)OC(=O)C)C)O

DOS

IR

Vibrations