Geometry & MOs

Info

ID:	157256
PubChem CID:	56422459
Reduced:	ON2C6H10 (3)
Stoich.:	AB2C6D10 (3)
Weight, g/mol:	448.120526
ΔH_f, kcal/mol:	-115.14
Dipole, Da:	4.21
IP(EA), eV:	-9.11(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-dioxo-2-(oxolan-2-ylmethyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]isoindole-5-carboxamide

Drug info:

PubChemData

Smile

CC(C)CN1C(=C(C(=O)NC1=O)N(CC2=NN=C(O2)C(C)C)CC(C)C)N

DOS

IR

Vibrations