Geometry & MOs

Info

ID:	32701
PubChem CID:	7847216
Reduced:	ClNO4C19H20 (1)
Stoich.:	ABC4D19E20 (1)
Weight, g/mol:	393.097915
ΔH_f, kcal/mol:	-135.3
Dipole, Da:	2.66
IP(EA), eV:	-8.68(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 5-[2-[2-(2-chlorophenoxy)acetyl]oxyacetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)[C@H](C)OC(=O)COC2=CC=CC=C2Cl

DOS

IR

Vibrations