Geometry & MOs

Info

ID:	139884
PubChem CID:	52611605
Reduced:	ClSN2O5C20H23 (1)
Stoich.:	ABC2D5E20F23 (1)
Weight, g/mol:	415.129397
ΔH_f, kcal/mol:	-166.13
Dipole, Da:	2.38
IP(EA), eV:	-9.23(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

2-hydroxy-4-[[(5S)-5-(4-methoxyphenyl)-2-oxo-1-phenylpyrrolidin-3-ylidene]amino]benzoate

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=O)NCCOC2=CC(=CC=C2)Cl)S(=O)(=O)N3CCCC3

DOS

IR

Vibrations