Geometry & MOs

Info

ID:	229798
PubChem CID:	87569086
Reduced:	SF3O5H9C13 (1)
Stoich.:	AB3C5D9E13 (1)
Weight, g/mol:	613.149441
ΔH_f, kcal/mol:	-314.9
Dipole, Da:	8.75
IP(EA), eV:	-9.56(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(4-methoxynaphthalen-1-yl)sulfonyl-3-[1-pyridin-2-yl-2-[(2,2,2-trifluoroacetyl)amino]ethyl]-2H-indole-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C2=CC=CC=C21)S(=O)(=O)OC(=O)C(F)(F)F

DOS

IR

Vibrations