Geometry & MOs

Info

ID:	125166
PubChem CID:	50912784
Reduced:	NNaS2O3C9H10 (1)
Stoich.:	ABC2D3E9F10 (1)
Weight, g/mol:	524.228677
ΔH_f, kcal/mol:	-164.25
Dipole, Da:	9.69
IP(EA), eV:	-8.41(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1S,9S,10S)-5-(2-phenylanilino)-17-azatetracyclo[7.5.3.01,10.02,7]heptadeca-2,4,6-trien-4-ol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC(=O)C)S(=O)(=S)[O-].[Na+]

DOS

IR

Vibrations