Geometry & MOs

Info

ID:	38071
PubChem CID:	8026766
Reduced:	SN3O5C19H19 (1)
Stoich.:	AB3C5D19E19 (1)
Weight, g/mol:	400.120526
ΔH_f, kcal/mol:	-168.93
Dipole, Da:	6.05
IP(EA), eV:	-9.23(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)N2C(=O)C[C@@H](C2=O)NC3=CC=C(C=C3)S(=O)(=O)NC(=O)C

DOS

IR

Vibrations