Geometry & MOs

Info

ID:	405984
PubChem CID:	135076187
Reduced:	SF3O4C15H17 (1)
Stoich.:	AB3C4D15E17 (1)
Weight, g/mol:	335.05209
ΔH_f, kcal/mol:	-288.72
Dipole, Da:	3.76
IP(EA), eV:	-8.78(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 3-bromo-4-(2-ethyl-5-methylpyrrol-1-yl)benzoate

Drug info:

PubChemData

Smile

CC1(CCC=C1OS(=O)(=O)C(F)(F)F)CC2=CC(=CC=C2)OC

DOS

IR

Vibrations