Geometry & MOs

Info

ID:

125300

PubChem CID:

50918889

Reduced:

NO2C20H25 (1)

Stoich.:

AB2C20D25 (1)

Weight, g/mol:

491.134695

ΔHf, kcal/mol:

-53.81

Dipole, Da:

2.46

IP(EA), eV:

 -8.61(0.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(1R,6S,10S,12S,19R,20R,21R)-21-(dimethylamino)-16,20-dihydroxy-12,19-dimethyl-7,11,23-trioxahexacyclo[17.3.1.02,18.03,15.05,13.06,10]tricosa-2,5(13),15,17-tetraene-4,8,14-trione;hydrochloride

Drug info:

PubChemData

Smile

C[C@@H]1[C@@H]2CC3=C([C@@]1(CCN2CC4=C(C=CO4)C)C)C=C(C=C3)O

DOS

IR

Vibrations