Geometry & MOs

Info

ID:	55796
PubChem CID:	17396554
Reduced:	SO2N5C9H15 (1)
Stoich.:	AB2C5D9E15 (1)
Weight, g/mol:	347.116901
ΔH_f, kcal/mol:	-56.99
Dipole, Da:	5.86
IP(EA), eV:	-9.14(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 5-[2-(2-acetyl-4-fluorophenoxy)acetyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Drug info:

PubChemData

Smile

CC1=NN=C(N1C)SC(C)C(=O)NC(=O)NC

DOS

IR

Vibrations