Geometry & MOs

Info

ID:	298904
PubChem CID:	117663997
Reduced:	FN2C7H7 (1)
Stoich.:	AB2C7D7 (1)
Weight, g/mol:	479.314792
ΔH_f, kcal/mol:	18.92
Dipole, Da:	2.28
IP(EA), eV:	-8.64(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(benzotriazol-1-yl)-1-[(3R,5S,8R,9R,10S,13S,14S,17S)-3-(ethoxymethyl)-3-hydroxy-13-methyl-2,4,5,6,7,8,9,10,11,12,14,15,16,17-tetradecahydro-1H-cyclopenta[a]phenanthren-17-yl]ethanone

Drug info:

PubChemData

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C1=CC2=CNNC2C=C1F

DOS

IR

Vibrations