Geometry & MOs

Info

ID:	223567
PubChem CID:	85335247
Reduced:	O2N3F4H19C22 (1)
Stoich.:	A2B3C4D19E22 (1)
Weight, g/mol:	433.246438
ΔH_f, kcal/mol:	-210.85
Dipole, Da:	5.32
IP(EA), eV:	-9.78(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(16-ethyl-13-methyl-3-oxo-2,6,7,8,9,10,11,12,14,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-17-yl) 4-nitrooxybutanoate

Drug info:

PubChemData

Smile

CC(C1=CC=C(C=C1)C2=C(C(=CC=C2)F)C(F)(F)F)NC(=O)C3(CC3)NC(=O)CC#N

DOS

IR

Vibrations