Geometry & MOs

Info

ID:	155502
PubChem CID:	56365838
Reduced:	ClSF2N4O4H19C20 (1)
Stoich.:	ABC2D4E4F19G20 (1)
Weight, g/mol:	348.995125
ΔH_f, kcal/mol:	-147.73
Dipole, Da:	2.84
IP(EA), eV:	-9.5(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2,5-difluorobenzamide

Drug info:

PubChemData

Smile

CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=C(C(=CC=C3)Cl)SC(F)F)[N+](=O)[O-]

DOS

IR

Vibrations