Geometry & MOs

Info

ID:	48345
PubChem CID:	10539064
Reduced:	SN3O4C9H11 (1)
Stoich.:	AB3C4D9E11 (1)
Weight, g/mol:	257.105193
ΔH_f, kcal/mol:	-32.36
Dipole, Da:	2.59
IP(EA), eV:	-9.92(-1.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzoyl 4-ethyl-3-methyl-1H-pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)/N=C/C1=CC(=CC=C1)[N+](=O)[O-]

DOS

IR

Vibrations