Geometry & MOs

Info

ID:	407912
PubChem CID:	135080667
Reduced:	BrNSO2C12H16 (1)
Stoich.:	ABCD2E12F16 (1)
Weight, g/mol:	222.100442
ΔH_f, kcal/mol:	-45.61
Dipole, Da:	3.86
IP(EA), eV:	-9.24(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3aS,7aS)-2-methyl-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-4-yl]acetamide

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)/C(=C/C1=CC=CC=C1)/Br

DOS

IR

Vibrations