Geometry & MOs

Info

ID:	68468
PubChem CID:	46508472
Reduced:	SN3O6C22H29 (1)
Stoich.:	AB3C6D22E29 (1)
Weight, g/mol:	300.094392
ΔH_f, kcal/mol:	-210.08
Dipole, Da:	4.93
IP(EA), eV:	-8.96(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-fluoroanilino)-N-(3-methyl-1,1-dioxothiolan-3-yl)acetamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)S(=O)(=O)C2=CC=C(C=C2)NCC(=O)NC3=CC(=CC(=C3)OC)OC

DOS

IR

Vibrations