Geometry & MOs

Info

ID:	368814
PubChem CID:	127330242
Reduced:	SO2N3H21C22 (1)
Stoich.:	AB2C3D21E22 (1)
Weight, g/mol:	358.135114
ΔH_f, kcal/mol:	-34.54
Dipole, Da:	4.73
IP(EA), eV:	-8.61(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1-benzothiophen-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)propanamide

Drug info:

PubChemData

Smile

C1CCC2=NC3=C(C=CC(=C3)C(=O)NC4CSC5=CC=CC=C45)C(=O)N2CC1

DOS

IR

Vibrations