Geometry & MOs

Info

ID:	303495
PubChem CID:	124489818
Reduced:	NSO4C15H19 (1)
Stoich.:	ABC4D15E19 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-137.22
Dipole, Da:	6.75
IP(EA), eV:	-9.27(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-3-methyl-1-(4-methylphenyl)sulfonyl-2,5-dihydropyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CCOC(=O)[C@@H]1C(=CCN1S(=O)(=O)C2=CC=C(C=C2)C)C

DOS

IR

Vibrations