Geometry & MOs

Info

ID:	425872
PubChem CID:	135128532
Reduced:	NF3C10H10 (1)
Stoich.:	AB3C10D10 (1)
Weight, g/mol:	404.29266
ΔH_f, kcal/mol:	-76.67
Dipole, Da:	3.93
IP(EA), eV:	-8.98(0.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (4R)-4-[(3R,10S,13R,14S)-3-hydroxy-10,13-dimethyl-7-oxo-1,2,3,4,5,6,8,9,11,12,14,15,16,17-tetradecahydrocyclopenta[a]phenanthren-17-yl]pentanoate

Drug info:

PubChemData

Smile

C/C/1=C/C(=C(\CC#CC1)/N)/C(F)(F)F

DOS

IR

Vibrations