Geometry & MOs

Info

ID:	151092
PubChem CID:	53790790
Reduced:	N2F3O3H9C10 (1)
Stoich.:	A2B3C3D9E10 (1)
Weight, g/mol:	412.228345
ΔH_f, kcal/mol:	-245.07
Dipole, Da:	2.13
IP(EA), eV:	-9.08(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(3S,5S,8R,9S,10S,13S,14S,17S)-17-acetyl-3,10,13-trimethyl-1,2,4,5,6,7,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-3-yl] hydrogen sulfate

Drug info:

PubChemData

Smile

CNC(=O)NC1=CC=CC=C1OC(=O)C(F)(F)F

DOS

IR

Vibrations