Geometry & MOs

Info

ID:

219006

PubChem CID:

85090356

Reduced:

FN5O5C28H32 (1)

Stoich.:

AB5C5D28E32 (1)

Weight, g/mol:

537.381809

ΔHf, kcal/mol:

-203.07

Dipole, Da:

15.46

IP(EA), eV:

 -8.93(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1CN(CC1C2=CC=C(C=C2)N)C3=C(C=C4C(=O)C(=CN(C4=N3)C5CC5)C(=O)O)F

DOS

IR

Vibrations