Geometry & MOs

Info

ID:	63428
PubChem CID:	26758322
Reduced:	SO4N6C21H28 (1)
Stoich.:	AB4C6D21E28 (1)
Weight, g/mol:	453.117215
ΔH_f, kcal/mol:	-101.3
Dipole, Da:	7.36
IP(EA), eV:	-9.13(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoylamino)-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)C(=O)NCC(=O)N2CCN(CC2)C3=NC=CC=N3

DOS

IR

Vibrations