Geometry & MOs

Info

ID:	394140
PubChem CID:	135022410
Reduced:	NOC10H17 (1)
Stoich.:	ABC10D17 (1)
Weight, g/mol:	385.117021
ΔH_f, kcal/mol:	-42.61
Dipole, Da:	1.54
IP(EA), eV:	-8.44(1.31)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-ethyl-3-methyl-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-5-thiophen-2-ylpyrrole

Drug info:

PubChemData

Smile

C1CCC(=[N+]2CCOCC2)[CH]C1

DOS

IR

Vibrations