Geometry & MOs

Info

ID:	135909
PubChem CID:	51956331
Reduced:	ClOSN4C19H23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	415.008622
ΔH_f, kcal/mol:	12.51
Dipole, Da:	2.75
IP(EA), eV:	-8.62(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[4-chloro-6-(3-chloro-4-fluorophenyl)sulfonyliminocyclohexa-2,4-dien-1-ylidene]-pyrrolidin-1-ylmethanolate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)SC)NC(=O)[C@H]2CCCN(C2)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations