Geometry & MOs

Info

ID:	388834
PubChem CID:	134990338
Reduced:	SN2O2F3C30H33 (1)
Stoich.:	AB2C2D3E30F33 (1)
Weight, g/mol:	289.216755
ΔH_f, kcal/mol:	-180.5
Dipole, Da:	5.3
IP(EA), eV:	-8.55(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

hydron;(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one

Drug info:

PubChemData

Smile

C1CN(CCN1CCCC2(C3=CC=CC=C3SC4=C2C=C(C=C4)C(F)(F)F)O)CCOCC5=CC=CC=C5

DOS

IR

Vibrations