Geometry & MOs

Info

ID:

447115

PubChem CID:

135280408

Reduced:

N2O2C12H15 (2)

Stoich.:

A2B2C12D15 (2)

Weight, g/mol:

797.497902

ΔHf, kcal/mol:

-138.64

Dipole, Da:

8.29

IP(EA), eV:

 -8.22(-0.63)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S)-3-[[(3aR,5aR,5bR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[[1-[(6-methylpyridine-3-carbonyl)amino]cyclopropanecarbonyl]amino]-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-9-yl]oxycarbonyl]-2,2-dimethylcyclobutane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)N1)CNC(=O)C2=C(C(=CC(=C2)OC)NC3CCN(C3)C(=O)C=C)C)C

DOS

IR

Vibrations