Geometry & MOs

Info

ID:	61176
PubChem CID:	26706668
Reduced:	SN3O4C25H25 (1)
Stoich.:	AB3C4D25E25 (1)
Weight, g/mol:	383.184506
ΔH_f, kcal/mol:	-72.64
Dipole, Da:	6.49
IP(EA), eV:	-9.23(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[3-[(3aS,7aS)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]propanoylamino]-N-prop-2-enylbenzamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)NCC=C

DOS

IR

Vibrations