Geometry & MOs

Info

ID:	448168
PubChem CID:	135288945
Reduced:	SN6H24C28 (1)
Stoich.:	AB6C24D28 (1)
Weight, g/mol:	856.542409
ΔH_f, kcal/mol:	199.98
Dipole, Da:	10.27
IP(EA), eV:	-8.3(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(E)-hexadec-1-enyl]-1-[3-[3-[3-[(E)-hexadec-1-enyl]-2,5-dioxopyrrolidin-1-yl]phenyl]sulfonylphenyl]pyrrolidine-2,5-dione

Drug info:

PubChemData

Smile

C1CCN(C1)CC2=CC(=CN=C2)C3=CC\4=C(C=C3)NN/C4=C\5/C=C6C(=N5)C=CN=C6C7=CSC=C7

DOS

IR

Vibrations