Geometry & MOs

Info

ID:	234342
PubChem CID:	92298218
Reduced:	BrSN3O7H18C24 (1)
Stoich.:	ABC3D7E18F24 (1)
Weight, g/mol:	552.01822
ΔH_f, kcal/mol:	-109.51
Dipole, Da:	7.16
IP(EA), eV:	-9.03(-1.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-4-hydroxy-1-(4-iodophenyl)-2-(2-nitrophenyl)-3-[(E)-3-phenylprop-2-enoyl]-2H-pyrrol-5-one

Drug info:

PubChemData

Smile

CC1=NN=C(S1)N2[C@H](C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC(=C(C(=C5)Br)O)OC

DOS

IR

Vibrations