Geometry & MOs

Info

ID:

447071

PubChem CID:

135280028

Reduced:

ON3H17C20 (1)

Stoich.:

AB3C17D20 (1)

Weight, g/mol:

682.528473

ΔHf, kcal/mol:

65.59

Dipole, Da:

3.63

IP(EA), eV:

 -8.61(-0.57)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl N-[8-[[(3aR,5aR,5bR,7aR,9S,11aR,11bR,13aS)-9-hydroxy-5a,5b,8,8,11a-pentamethyl-2-oxo-1-propan-2-yl-4,5,6,7,7a,9,10,11,11b,12,13,13a-dodecahydro-3H-cyclopenta[a]chrysen-3a-yl]amino]-8-oxooctyl]carbamate

Drug info:

PubChemData

Smile

C1C(CN1)N2C=NC3=C2C=CC(=C3)C4=CC(=CC5=CC=CC=C54)O

DOS

IR

Vibrations