Geometry & MOs

Info

ID:	165360
PubChem CID:	74537776
Reduced:	NSO6C22H25 (1)
Stoich.:	ABC6D22E25 (1)
Weight, g/mol:	396.161111
ΔH_f, kcal/mol:	-230.61
Dipole, Da:	4.54
IP(EA), eV:	-9.23(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2,5-dimethylphenyl)-[2-(2-fluorophenyl)-1-(3-methoxypropyl)-4,5-dioxopyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

C1CCC(C1)N(C2CCS(=O)(=O)C2)C(=O)COC(=O)C3=C(C4=CC=CC=C4C=C3)O

DOS

IR

Vibrations