Geometry & MOs

Info

ID:	134143
PubChem CID:	51652011
Reduced:	BrSO2N4C19H22 (1)
Stoich.:	ABC2D4E19F22 (1)
Weight, g/mol:	438.074927
ΔH_f, kcal/mol:	-9.62
Dipole, Da:	10.25
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.842673
Charge, e:	0

Chem-info

IUPAC name:

(3S)-3-(5-chloro-2-methoxyanilino)-1-[5-chloro-2-methoxy-4-(methoxymethyl)phenyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C/C(=N/N=C1N=C([C@H](S1)CC(=O)NC2=CC=C(C=C2)Br)[O-])/C3CCCCC3

DOS

IR

Vibrations