Geometry & MOs

Info

ID:

444080

PubChem CID:

135261286

Reduced:

O4N5C16H29 (1)

Stoich.:

A4B5C16D29 (1)

Weight, g/mol:

774.481917

ΔHf, kcal/mol:

-181.6

Dipole, Da:

4.59

IP(EA), eV:

 -9.78(0.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,3S)-3-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-5a,5b,8,8,11a-pentamethyl-3a-[3-[(2-methylfuran-3-carbonyl)amino]propanoylamino]-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

CC(C)CC(C(=O)NCCCCN=C(N)N)NC(=O)C1C[C@@H]1C(=O)O

DOS

IR

Vibrations