Geometry & MOs

Info

ID:	83153
PubChem CID:	49857217
Reduced:	ON5C23H25 (1)
Stoich.:	AB5C23D25 (1)
Weight, g/mol:	565.061357
ΔH_f, kcal/mol:	82.23
Dipole, Da:	4.47
IP(EA), eV:	-8.57(-0.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=CC(=C1OC)C)C2(N=C(C(=N2)N)C)C3=CC=CC(=C3)C4=CN(N=C4)C

DOS

IR

Vibrations