Geometry & MOs

Info

ID:

309284

PubChem CID:

126542122

Reduced:

ClON3C11H12 (2)

Stoich.:

ABC3D11E12 (2)

Weight, g/mol:

748.575424

ΔHf, kcal/mol:

-18.54

Dipole, Da:

1.08

IP(EA), eV:

 -8.3(-0.64)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S)-3-[[(1R,3aS,5aR,5bR,7aR,9S,11aR,11bR,13aR,13bR)-5a,5b,8,8,11a-pentamethyl-1-(1-methylcyclopropyl)-3a-[(2-methyl-1-pyrrolidin-1-ylpropan-2-yl)carbamoyl]-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-9-yl]oxycarbonyl]-2,2-dimethylcyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)N1C(=O)N(C=N1)C2=CC=C(C=C2)N3CCN(CC3)C(=O)NC4=C(C=CC=C4Cl)Cl

DOS

IR

Vibrations