Geometry & MOs

Info

ID:	34287
PubChem CID:	7890624
Reduced:	FSN2O6C17H17 (1)
Stoich.:	ABC2D6E17F17 (1)
Weight, g/mol:	407.136887
ΔH_f, kcal/mol:	-241.0
Dipole, Da:	5.79
IP(EA), eV:	-9.0(-1.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[1-(4-methoxycarbonylphenyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl] 2-hydroxybenzoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=CC=CC=C1F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations