Geometry & MOs

Info

ID:	27490
PubChem CID:	821602
Reduced:	OSN2H14C16 (1)
Stoich.:	ABC2D14E16 (1)
Weight, g/mol:	223.120843
ΔH_f, kcal/mol:	21.47
Dipole, Da:	5.51
IP(EA), eV:	-8.98(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-acetyl-1,3,5-trimethylpyrrole-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)C(=O)NC2=NC3=CC=CC=C3S2)C

DOS

IR

Vibrations