Geometry & MOs

Info

ID:	428608
PubChem CID:	135167788
Reduced:	SO2N4C33H44 (1)
Stoich.:	AB2C4D33E44 (1)
Weight, g/mol:	254.105528
ΔH_f, kcal/mol:	-60.94
Dipole, Da:	6.96
IP(EA), eV:	-8.64(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-methylidene-2-(6-methylidene-2-oxopiperidin-3-yl)isoindol-1-one

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@@H](C1CCCCC1)C(=O)N2CCC[C@H]2C3=NC(=CS3)C4=CC=C(C5=CC=CC=C54)C(C)(C)C)NC

DOS

IR

Vibrations