Geometry & MOs

Info

ID:	85611
PubChem CID:	49877666
Reduced:	N3O5C28H29 (1)
Stoich.:	A3B5C28D29 (1)
Weight, g/mol:	451.083806
ΔH_f, kcal/mol:	-84.87
Dipole, Da:	7.92
IP(EA), eV:	-9.12(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4Z)-4-[hydroxy-(4-methoxy-3-methylphenyl)methylidene]-5-(3-nitrophenyl)-1-(1,3-thiazol-2-yl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CCCN3C=CN=C3)C4=CC=C(C=C4)OCC=C)/O

DOS

IR

Vibrations