Geometry & MOs

Info

ID:	18229
PubChem CID:	538987
Reduced:	O7C26H36 (1)
Stoich.:	A7B26C36 (1)
Weight, g/mol:	460.246104
ΔH_f, kcal/mol:	-324.2
Dipole, Da:	2.95
IP(EA), eV:	-9.96(0.23)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(5-acetyl-2-acetyloxy-14-methoxy-17-methyl-18-oxapentacyclo[12.3.1.01,9.04,8.012,17]octadec-5-en-4-yl)methyl acetate

Drug info:

PubChemData

Smile

CC(=O)C1=CCC2C1(CC(C34C2CCC5C3(CCC(C5)(O4)OC)C)OC(=O)C)COC(=O)C

DOS

IR

Vibrations