Geometry & MOs

Info

ID:	223637
PubChem CID:	85335345
Reduced:	NO7C26H29 (1)
Stoich.:	AB7C26D29 (1)
Weight, g/mol:	467.118478
ΔH_f, kcal/mol:	-225.78
Dipole, Da:	5.98
IP(EA), eV:	-8.92(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3,4-dioxo-2-[1-(4-propan-2-ylfuran-2-yl)propylamino]cyclobuten-1-yl]amino]-N,N-dimethyl-3-oxothiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CCCCN(CCCC)C(=O)C(=C(C1=CC2=C(C=C1)OCO2)C(=O)O)C3=CC4=C(C=C3)OCO4

DOS

IR

Vibrations