Geometry & MOs

Info

ID:

443409

PubChem CID:

135258914

Reduced:

N2O3C11H11 (2)

Stoich.:

A2B3C11D11 (2)

Weight, g/mol:

996.570613

ΔHf, kcal/mol:

-134.54

Dipole, Da:

9.72

IP(EA), eV:

 -9.24(-0.53)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[9-[4-[4-[(5S,8S,9S,10S,13R,14S,17S)-10,13-dimethyl-17-(5-methylhexyl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]dibenzofuran-2-yl]-9-phenylcarbazole

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)OCCCCOC(=O)NC2=CC(=C(C=C2)C)OC#N)OC#N

DOS

IR

Vibrations