Geometry & MOs

Info

ID:	163150
PubChem CID:	57646612
Reduced:	NYO4H11C13 (1)
Stoich.:	ABC4D11E13 (1)
Weight, g/mol:	620.09549
ΔH_f, kcal/mol:	-55.63
Dipole, Da:	4.53
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.721224
Charge, e:	0

Chem-info

IUPAC name:

(4E)-4-[(4-amino-2-pyrrolidin-1-ylphenyl)-hydroxymethylidene]-1-[5-(benzenesulfonyl)-1,3-thiazol-2-yl]-5-(3-chlorophenyl)pyrrolidine-2,3-dione

Drug info:

PubChemData

Smile

C[C-]=CC=[C-]C(=O)NC1=CC(=C(C=C1)O)C(=O)O.[Y]

DOS

IR

Vibrations