Geometry & MOs

Info

ID:	79593
PubChem CID:	49829651
Reduced:	S2N3O4C19H19 (1)
Stoich.:	A2B3C4D19E19 (1)
Weight, g/mol:	422.141262
ΔH_f, kcal/mol:	-116.74
Dipole, Da:	4.95
IP(EA), eV:	-8.69(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]-2-(1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl)acetamide

Drug info:

PubChemData

Smile

CC(C(=O)N)OC(=O)C(C)SCC1=NC2=C(C(=CS2)C3=CC=CC=C3)C(=O)N1

DOS

IR

Vibrations