Geometry & MOs

Info

ID:

443422

PubChem CID:

135258961

Reduced:

N4O5H23C24 (2)

Stoich.:

A4B5C23D24 (2)

Weight, g/mol:

927.574301

ΔHf, kcal/mol:

-152.79

Dipole, Da:

15.49

IP(EA), eV:

 -9.25(-0.86)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12'-[4-[(5S,8R,9S,10S,13R,14S,17R)-10,13-dimethyl-17-[(2R)-6-methylheptan-2-yl]-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-3-yl]phenyl]-3'-phenylspiro[fluorene-9,7'-indeno[1,2-a]carbazole]

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)NC(=O)OC2=CC=C(C=C2)/C(=N/OC(=O)NC(C)(C)C3=CC(=CC=C3)C(C)(C)NC(=O)O/N=C(\C)/C4=CC=C(C=C4)OC(=O)NC5=CC(=C(C=C5)C)OC#N)/C)OC#N

DOS

IR

Vibrations