Geometry & MOs

Info

ID:	224871
PubChem CID:	85532684
Reduced:	OSH20C23 (1)
Stoich.:	ABC20D23 (1)
Weight, g/mol:	854.168264
ΔH_f, kcal/mol:	98.66
Dipole, Da:	2.97
IP(EA), eV:	-8.53(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[4-[4-(4-benzamidophenoxy)phenyl]sulfonylphenoxy]phenyl]-3-(1,3,5,7-tetraoxopyrrolo[3,4-f]isoindol-2-yl)benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C=CC=CC=CC=CC=CC=CC(=O)C2=CC=CS2

DOS

IR

Vibrations