Geometry & MOs

Info

ID:

44701

PubChem CID:

10505448

Reduced:

N2O3C31H48 (1)

Stoich.:

A2B3C31D48 (1)

Weight, g/mol:

496.391646

ΔHf, kcal/mol:

-147.76

Dipole, Da:

2.79

IP(EA), eV:

 -8.11(-0.68)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3aS,5aR,5bR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-9-prop-2-enoxy-1-prop-1-en-2-yl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysene-3a-carboxylic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N1CCC2=CC(=C(C3=NC=CC1=C23)OC)OC

DOS

IR

Vibrations