Geometry & MOs

Info

ID:	169067
PubChem CID:	75059658
Reduced:	OSC10H12 (1)
Stoich.:	ABC10D12 (1)
Weight, g/mol:	761.245489
ΔH_f, kcal/mol:	1.22
Dipole, Da:	1.41
IP(EA), eV:	-8.96(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[6,9-difluoro-11-hydroxy-10,13,16-trimethyl-17-(4-nitrooxybutanoyloxy)-3-oxo-6,7,8,11,12,14,15,16-octahydrocyclopenta[a]phenanthren-17-yl]-2-oxoethyl] 5,6-dinitrooxyhexanoate

Drug info:

PubChemData

Smile

CC1C(S1)COC2=CC=CC=C2

DOS

IR

Vibrations