Geometry & MOs

Info

ID:	394236
PubChem CID:	135022571
Reduced:	N2F3O4C23H25 (1)
Stoich.:	A2B3C4D23E25 (1)
Weight, g/mol:	359.1919
ΔH_f, kcal/mol:	-309.92
Dipole, Da:	8.13
IP(EA), eV:	-9.64(-0.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-butyl-3-ethyl-4-methyl-1-(4-methylphenyl)sulfonyl-5-prop-2-enylpyrrole

Drug info:

PubChemData

Smile

CCOC(=O)[C@H](CC1=CC=C(C=C1)C(CC(F)(F)F)NC(=O)C)NC(=O)C2=CC=CC=C2

DOS

IR

Vibrations