Geometry & MOs

Info

ID:	394237
PubChem CID:	135022572
Reduced:	NSO2C21H29 (1)
Stoich.:	ABC2D21E29 (1)
Weight, g/mol:	379.1606
ΔH_f, kcal/mol:	-70.0
Dipole, Da:	6.04
IP(EA), eV:	-8.22(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCCCC1=C(C(=C(N1S(=O)(=O)C2=CC=C(C=C2)C)CC=C)C)CC

DOS

IR

Vibrations