Geometry & MOs

Info

ID:	68958
PubChem CID:	46513626
Reduced:	SO3N4C22H24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	411.125277
ΔH_f, kcal/mol:	-56.41
Dipole, Da:	1.47
IP(EA), eV:	-8.83(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetyl]amino]phenyl]thiophene-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)C(C(C)C)NC(=O)C2=CC=C(C=C2)OC)C3=CC=CC=N3

DOS

IR

Vibrations