Geometry & MOs

Info

ID:

219089

PubChem CID:

85090471

Reduced:

F4N4O4C27H30 (1)

Stoich.:

A4B4C4D27E30 (1)

Weight, g/mol:

549.22738

ΔHf, kcal/mol:

-337.65

Dipole, Da:

4.51

IP(EA), eV:

 -9.45(-1.15)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-bromo-N-[2-[3-[tert-butyl(dimethyl)silyl]oxy-17-hydroxy-13-methyl-7,8,9,11,12,14,15,16-octahydro-6H-cyclopenta[a]phenanthren-17-yl]ethyl]acetamide

Drug info:

PubChemData

Smile

C1CN(C2CN(C(=O)C(N2C1=O)CCCCN)CC3=CC=CC=C3)C(=O)OCC4=CC(=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations