Geometry & MOs

Info

ID:

178497

PubChem CID:

76336462

Reduced:

ON6C22H26 (1)

Stoich.:

AB6C22D26 (1)

Weight, g/mol:

688.262091

ΔHf, kcal/mol:

76.77

Dipole, Da:

2.72

IP(EA), eV:

 -8.13(-0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2S,3S,6S,8S,9S,14S)-10,13-dimethyl-2,3-disulfooxy-17-(5,6,6-trimethylheptan-2-yl)-2,3,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-6-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CN1C=C(C=N1)C2=NN=C(C=C2)N3CCC(CC3)N4CCC5=C4C=C(C=C5)OC

DOS

IR

Vibrations