Geometry & MOs

Info

ID:	83453
PubChem CID:	49857609
Reduced:	F3N3O3H22C30 (1)
Stoich.:	A3B3C3D22E30 (1)
Weight, g/mol:	631.144693
ΔH_f, kcal/mol:	-141.96
Dipole, Da:	4.83
IP(EA), eV:	-9.36(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-tert-butylphenyl)-4-hydroxy-1-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]-3-(3-phenylpropanoyl)-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COCC2=CC(=NC=N2)OC3=CC4=C(C=C3)C(=CC=C4)C(=O)NC5=CC=CC(=C5)C(F)(F)F

DOS

IR

Vibrations