Geometry & MOs

Info

ID:	305347
PubChem CID:	124771958
Reduced:	O2N3C24H27 (1)
Stoich.:	A2B3C24D27 (1)
Weight, g/mol:	458.164185
ΔH_f, kcal/mol:	-46.45
Dipole, Da:	1.11
IP(EA), eV:	-9.04(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(1R,3S,3aS,6aR)-3-benzyl-5-(4-fluorophenyl)-1-(4-methylphenyl)-4,6-dioxo-1,2,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-3-carboxylic acid

Drug info:

PubChemData

Smile

C[C@H](CNC(=O)[C@@H]1C[C@H]2CCCN2[C@]13C4=CC=CC=C4NC3=O)C5=CC=CC=C5

DOS

IR

Vibrations