Geometry & MOs

Info

ID:	163977
PubChem CID:	74381155
Reduced:	O2F3N3H14C16 (1)
Stoich.:	A2B3C3D14E16 (1)
Weight, g/mol:	394.181395
ΔH_f, kcal/mol:	-157.03
Dipole, Da:	5.16
IP(EA), eV:	-9.88(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(17-ethylidene-10,13-dimethyl-3-oxo-2,6,7,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-16-yl) hydrogen sulfate

Drug info:

PubChemData

Smile

C1COCCC1C2=NC=C3N2C4=CC(C=CC4=NC3=O)C(F)(F)F

DOS

IR

Vibrations