Geometry & MOs

Info

ID:	155758
PubChem CID:	56367366
Reduced:	BrN2O2F3H12C16 (1)
Stoich.:	AB2C2D3E12F16 (1)
Weight, g/mol:	387.050749
ΔH_f, kcal/mol:	-196.0
Dipole, Da:	7.78
IP(EA), eV:	-9.03(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-(2-methoxyethoxy)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations