Geometry & MOs

Info

ID:	132991
PubChem CID:	51459307
Reduced:	SO2N3H12C14 (1)
Stoich.:	AB2C3D12E14 (1)
Weight, g/mol:	430.061288
ΔH_f, kcal/mol:	45.09
Dipole, Da:	7.33
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.799205
Charge, e:	-1

Chem-info

IUPAC name:

(4-chlorophenyl)-[(2S)-2-(2-chlorophenyl)-4,5-dioxo-1-[[(2R)-oxolan-2-yl]methyl]pyrrolidin-3-ylidene]methanolate

Drug info:

PubChemData

Smile

CC1=C(/C(=C/2\C(=CNN2)C3=CSC(=N3)C)/C=CC1=O)[O-]

DOS

IR

Vibrations