Geometry & MOs

Info

ID:	303494
PubChem CID:	124489817
Reduced:	O3N4C9H14 (1)
Stoich.:	A3B4C9D14 (1)
Weight, g/mol:	309.103479
ΔH_f, kcal/mol:	-95.57
Dipole, Da:	6.84
IP(EA), eV:	-9.66(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

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C[C@@H](C(=O)[C@H](C1=CN=CN1)[C@@H](C(=O)O)N)N

DOS

IR

Vibrations