Geometry & MOs

Info

ID:	305440
PubChem CID:	124807261
Reduced:	SN3O3C20H23 (1)
Stoich.:	AB3C3D20E23 (1)
Weight, g/mol:	332.190006
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	8.19
IP(EA), eV:	-9.63(-0.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3aS,6aR)-5-[(3-fluorophenyl)methyl]-2-(oxan-4-ylmethyl)-3,3a,6,6a-tetrahydro-1H-pyrrolo[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

CC1=CC(=CC=C1)S(=O)(=O)N2CC[C@@]3(C2)C[C@H]3C(=O)NCC4=CC=NC=C4

DOS

IR

Vibrations