Geometry & MOs

Info

ID:	155867
PubChem CID:	56367998
Reduced:	BrSO2N5H18C21 (1)
Stoich.:	ABC2D5E18F21 (1)
Weight, g/mol:	409.016255
ΔH_f, kcal/mol:	29.44
Dipole, Da:	6.98
IP(EA), eV:	-8.92(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-3-(difluoromethoxy)-4-methoxybenzamide

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3=CC=CS3)C(=O)NC4=C(C=CC(=C4)Br)NC(=O)C)C

DOS

IR

Vibrations