Geometry & MOs

Info

ID:

187488

PubChem CID:

77580090

Reduced:

BrN5O5C35H46 (1)

Stoich.:

AB5C5D35E46 (1)

Weight, g/mol:

478.253081

ΔHf, kcal/mol:

-207.29

Dipole, Da:

5.56

IP(EA), eV:

 -8.79(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[6,9-difluoro-11-hydroxy-2-(4-hydroxybut-2-enyl)-10,13,16-trimethyl-3-oxo-7,8,11,12,14,15,16,17-octahydro-6H-cyclopenta[a]phenanthren-17-yl] propanoate

Drug info:

PubChemData

Smile

CN1CCC(CC1)C2CCN(CC2)C(=O)C(CC3=CC(=C(C=C3)O)Br)C4CC(CCN4C(=O)O)N5CCC6=CC=CC=C6NC5=O

DOS

IR

Vibrations