Geometry & MOs

Info

ID:	155730
PubChem CID:	56367233
Reduced:	BrSN3O4H14C16 (1)
Stoich.:	ABC3D4E14F16 (1)
Weight, g/mol:	412.007167
ΔH_f, kcal/mol:	-44.2
Dipole, Da:	6.26
IP(EA), eV:	-9.17(-1.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-2-[2-oxo-3-(trifluoromethyl)pyridin-1-yl]acetamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)CSC2=CC=C(C=C2)[N+](=O)[O-]

DOS

IR

Vibrations