Geometry & MOs

Info

ID:	233316
PubChem CID:	89649992
Reduced:	BrN2O4C38H53 (1)
Stoich.:	AB2C4D38E53 (1)
Weight, g/mol:	385.948208
ΔH_f, kcal/mol:	-78.18
Dipole, Da:	0.28
IP(EA), eV:	-10.21(-2.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N'-[2,4-dichloro-5-(2,2,2-trifluoroethylsulfinyl)phenyl]-2,2,2-trifluoroethanimidamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCN1C(=O)C2=C3C4=CC(=C(C3=C(C1=O)C=C2)C(=O)N(C4=O)CCCCCCCCCCCC)Br

DOS

IR

Vibrations