Geometry & MOs

Info

ID:

173036

PubChem CID:

75586629

Reduced:

N4O9C29H56 (1)

Stoich.:

A4B9C29D56 (1)

Weight, g/mol:

484.35526

ΔHf, kcal/mol:

-436.86

Dipole, Da:

1.82

IP(EA), eV:

 -9.92(-0.14)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-(3-methoxy-3-oxopropyl)-3,7,10a,10b,12a-pentamethyl-8-prop-1-en-2-yl-2,4,4a,6,6a,8,9,10,11,12-decahydro-1H-chrysene-3-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCC(C(C(COC1C(C(C(C(O1)CN=[N+]=[N-])O)O)O)NC(=O)OC(C)(C)C)O)O

DOS

IR

Vibrations