Geometry & MOs

Info

ID:	60027
PubChem CID:	26665179
Reduced:	FSCl2N3O4H14C21 (1)
Stoich.:	ABC2D3E4F14G21 (1)
Weight, g/mol:	307.991946
ΔH_f, kcal/mol:	-114.01
Dipole, Da:	4.94
IP(EA), eV:	-9.08(-1.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-N-(3-chloro-4-cyanophenyl)-4-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=NC2=C(O1)C=CC(=C2)NC(=O)C3=CC(=C(C=C3Cl)Cl)S(=O)(=O)NC4=CC=CC=C4F

DOS

IR

Vibrations