Geometry & MOs

Info

ID:	155676
PubChem CID:	56366847
Reduced:	BrN2O3C17H17 (1)
Stoich.:	AB2C3D17E17 (1)
Weight, g/mol:	425.041246
ΔH_f, kcal/mol:	-80.96
Dipole, Da:	7.9
IP(EA), eV:	-8.82(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-chloro-2-(difluoromethylsulfanyl)phenyl]-4-(3,6-dioxodiazinan-1-yl)benzamide

Drug info:

PubChemData

Smile

CC(=O)NC1=C(C=C(C=C1)Br)NC(=O)C2=CC=C(C=C2)COC

DOS

IR

Vibrations