Geometry & MOs

Info

ID:	45671
PubChem CID:	10516385
Reduced:	NO5C13H23 (1)
Stoich.:	AB5C13D23 (1)
Weight, g/mol:	273.103479
ΔH_f, kcal/mol:	-235.89
Dipole, Da:	7.01
IP(EA), eV:	-9.85(0.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 1-ethyl-4-ethylsulfonyl-5-methylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C[C@]1(CC[C@](C1(C)C)(C(=O)O)OC(=O)CN)COC

DOS

IR

Vibrations