Geometry & MOs

Info

ID:	237991
PubChem CID:	92728693
Reduced:	ClN3O3S3C20H22 (1)
Stoich.:	AB3C3D3E20F22 (1)
Weight, g/mol:	454.132921
ΔH_f, kcal/mol:	-77.51
Dipole, Da:	5.96
IP(EA), eV:	-8.57(-1.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-2-[(3aR,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(5-chloro-2,4-dimethoxyphenyl)-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CSCC[C@H](C(=O)NC1=NC(=CS1)C2=CC=C(S2)Cl)N3C(=O)[C@@H]4CCCC[C@@H]4C3=O

DOS

IR

Vibrations