Geometry & MOs

Info

ID:	165990
PubChem CID:	74622296
Reduced:	NO7C23H23 (1)
Stoich.:	AB7C23D23 (1)
Weight, g/mol:	459.025145
ΔH_f, kcal/mol:	-217.57
Dipole, Da:	5.48
IP(EA), eV:	-8.66(-0.84)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

[2-chloro-5-[(1,1-dioxothiolan-3-yl)-methylcarbamoyl]phenyl]-(4-fluorophenyl)sulfonylazanide

Drug info:

PubChemData

Smile

CC(=O)N=C1CCC2=C(C=C(OC2C1)O)COC(=O)C=CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations