Geometry & MOs

Info

ID:	34284
PubChem CID:	7890621
Reduced:	NSO7C19H21 (1)
Stoich.:	ABC7D19E21 (1)
Weight, g/mol:	367.121986
ΔH_f, kcal/mol:	-241.74
Dipole, Da:	3.07
IP(EA), eV:	-9.19(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)OC

DOS

IR

Vibrations