Geometry & MOs

Info

ID:	355859
PubChem CID:	127290711
Reduced:	SN3O3C21H25 (1)
Stoich.:	AB3C3D21E25 (1)
Weight, g/mol:	313.179027
ΔH_f, kcal/mol:	-81.11
Dipole, Da:	1.85
IP(EA), eV:	-9.39(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-1,3-dihydroisoindole-2-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CNC(=O)N3CC4=CC=CC=C4C3

DOS

IR

Vibrations