Geometry & MOs

Info

ID:	179375
PubChem CID:	76473932
Reduced:	F3N4O4C28H31 (1)
Stoich.:	A3B4C4D28E31 (1)
Weight, g/mol:	374.24571
ΔH_f, kcal/mol:	-225.98
Dipole, Da:	5.68
IP(EA), eV:	-9.03(-1.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-hydroxy-10,13-dimethyl-3-oxo-4,5,6,7,8,9,11,12,14,15,16,17-dodecahydrocyclopenta[a]phenanthren-1-yl) butanoate

Drug info:

PubChemData

Smile

CC(CCCN)(C(=O)NCC1=CC=CC=C1)N(C(=O)C(CC2=CC=CC3=CC=CC=C32)N)OC(=O)C(F)(F)F

DOS

IR

Vibrations