Geometry & MOs

Info

ID:	137119
PubChem CID:	52153740
Reduced:	SN2O4C25H28 (1)
Stoich.:	AB2C4D25E28 (1)
Weight, g/mol:	317.052193
ΔH_f, kcal/mol:	-67.7
Dipole, Da:	17.63
IP(EA), eV:	-8.05(-0.3)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-(2-fluorophenyl)-4-hydroxy-1-methyl-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C=CCOC1=CC=C(C=C1)[C@H]2C(=C(C(=O)N2CC[NH+]3CCCCC3)[O-])C(=O)C4=CC=CS4

DOS

IR

Vibrations