Geometry & MOs

Info

ID:	63422
PubChem CID:	26758301
Reduced:	SN6O6C22H22 (1)
Stoich.:	AB6C6D22E22 (1)
Weight, g/mol:	360.168522
ΔH_f, kcal/mol:	-60.87
Dipole, Da:	7.42
IP(EA), eV:	-9.1(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-[di(propan-2-yl)amino]-1-oxopropan-2-yl] 2-(1,3-dioxoisoindol-2-yl)acetate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NS(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)C4=NC=CC=N4

DOS

IR

Vibrations