Geometry & MOs

Info

ID:

181806

PubChem CID:

76795533

Reduced:

N2O7C40H60 (1)

Stoich.:

A2B7C40D60 (1)

Weight, g/mol:

503.361074

ΔHf, kcal/mol:

-333.17

Dipole, Da:

5.17

IP(EA), eV:

 -9.36(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl N-[(11,18-dihydroxy-4,6,12,17,17-pentamethyl-9-oxahexacyclo[11.9.0.01,21.04,12.05,10.016,21]docosan-8-yl)methyl]-N-methylcarbamate

Drug info:

PubChemData

Smile

CC1CC(OC2C1C3(CCC45CC46CCC(C(C6CCC5C3(C2O)C)(C)C)OC7CN(CCO7)C(=O)C8=CN=CC=C8)C)C(C(C)(C)O)O

DOS

IR

Vibrations