Geometry & MOs

Info

ID:	137120
PubChem CID:	52153787
Reduced:	FNSO3H12C16 (1)
Stoich.:	ABCD3E12F16 (1)
Weight, g/mol:	364.014338
ΔH_f, kcal/mol:	-84.26
Dipole, Da:	2.52
IP(EA), eV:	-9.14(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2S)-2-(3,4-dichlorophenyl)-1-methyl-3-(5-methylfuran-2-carbonyl)-5-oxo-2H-pyrrol-4-olate

Drug info:

PubChemData

Smile

CN1[C@@H](C(=C(C1=O)O)C(=O)C2=CC=CS2)C3=CC=CC=C3F

DOS

IR

Vibrations