Geometry & MOs

Info

ID:	313180
PubChem CID:	126612386
Reduced:	FSO2N4H21C22 (1)
Stoich.:	ABC2D4E21F22 (1)
Weight, g/mol:	293.105193
ΔH_f, kcal/mol:	-37.45
Dipole, Da:	3.99
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(3S,4S)-4-phenyloxolan-3-yl]isoindole-1,3-dione

Drug info:

PubChemData

Smile

CC1=NC=CC(=C1)C2=C3C=C(SC3=NN2)C(=O)NC(C4=CC=C(C=C4)F)C(C)(C)O

DOS

IR

Vibrations