Geometry & MOs

Info

ID:	82839
PubChem CID:	49856652
Reduced:	ClN5H20C21 (1)
Stoich.:	AB5C20D21 (1)
Weight, g/mol:	527.009321
ΔH_f, kcal/mol:	117.13
Dipole, Da:	3.65
IP(EA), eV:	-9.08(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(furan-2-carbonyl)-2-(furan-2-yl)-4-hydroxy-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=C(C=NN1C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CC(=CC=C4)Cl

DOS

IR

Vibrations