Geometry & MOs

Info

ID:	121465
PubChem CID:	50769094
Reduced:	SO3N5H23C26 (1)
Stoich.:	AB3C5D23E26 (1)
Weight, g/mol:	378.161329
ΔH_f, kcal/mol:	13.26
Dipole, Da:	1.19
IP(EA), eV:	-8.93(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)methyl]-2-methyl-N-propylbenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C4=CC=CC=C4C(=O)N3CCC5=CC=CC=C5

DOS

IR

Vibrations