Geometry & MOs

Info

ID:

449476

PubChem CID:

135298926

Reduced:

O6C13H26 (2)

Stoich.:

A6B13C26 (2)

Weight, g/mol:

753.414172

ΔHf, kcal/mol:

-530.45

Dipole, Da:

3.16

IP(EA), eV:

-9.79(0.78)

Spin(Sz, S2):

None, None

Charge, e:

0

Chem-info

IUPAC name:

9H-fluoren-9-ylmethyl N-[(1S)-2-[(E)-[(10R,13S,17S)-10,13-dimethyl-17-(2-methyl-1,3-dioxolan-2-yl)-1,2,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-3-ylidene]amino]oxy-1-(1H-indol-2-yl)ethyl]carbamate

Drug info:

PubChemData

Smile

CCC(C)C(=O)OCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC

DOS

IR

Vibrations