Geometry & MOs

Info

ID:	184480
PubChem CID:	77166738
Reduced:	F3O3N4C26H29 (1)
Stoich.:	A3B3C4D26E29 (1)
Weight, g/mol:	328.203845
ΔH_f, kcal/mol:	-187.88
Dipole, Da:	3.15
IP(EA), eV:	-9.04(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

10,13,16-trimethyl-3-oxo-6,7,8,9,11,12,14,15,16,17-decahydrocyclopenta[a]phenanthrene-17-carboxylic acid

Drug info:

PubChemData

Smile

C1CC(CCC1NC2(CCNC2)C(=O)C3CC(=NO3)C4=CC(=CC=C4)C(F)(F)F)(C5=CC=CC=N5)O

DOS

IR

Vibrations