Geometry & MOs

Info

ID:	68500
PubChem CID:	46508535
Reduced:	SN3O4C14H19 (1)
Stoich.:	AB3C4D14E19 (1)
Weight, g/mol:	378.0049
ΔH_f, kcal/mol:	-164.29
Dipole, Da:	1.66
IP(EA), eV:	-8.69(-0.41)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1(CCS(=O)(=O)C1)NC(=O)CNC2=CC=CC=C2C(=O)N

DOS

IR

Vibrations