Geometry & MOs

Info

ID:	262633
PubChem CID:	103304112
Reduced:	SO2N3C13H15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	358.01801
ΔH_f, kcal/mol:	-37.13
Dipole, Da:	6.52
IP(EA), eV:	-8.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[bromo-(3-propoxyphenyl)methyl]-2,4,5-trifluorobenzene

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NS(=O)(=O)C2=C(C=CC=N2)N)C

DOS

IR

Vibrations