Geometry & MOs

Info

ID:

177431

PubChem CID:

76184612

Reduced:

N2O6H16C17 (1)

Stoich.:

A2B6C16D17 (1)

Weight, g/mol:

578.324354

ΔHf, kcal/mol:

-118.94

Dipole, Da:

6.79

IP(EA), eV:

 -8.9(-1.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl 3,22-diethyl-17,23-dihydroxy-6,8,18-trimethyl-25,27-dioxo-26-oxapentacyclo[22.2.1.01,6.013,22.016,21]heptacosa-4,7,10,14,23-pentaene-4-carboxylate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(C=CC2=CC(=C(C=C2)N(C)C)[N+](=O)[O-])O)C(=O)O1

DOS

IR

Vibrations