Geometry & MOs

Info

ID:	379840
PubChem CID:	134465032
Reduced:	BrClFSN2O2H11C13 (1)
Stoich.:	ABCDE2F2G11H13 (1)
Weight, g/mol:	426.180665
ΔH_f, kcal/mol:	-78.83
Dipole, Da:	3.57
IP(EA), eV:	-9.78(-1.35)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-ethoxy-1,2,8-trifluoro-3-[(4-pentylphenyl)methoxy]biphenylene

Drug info:

PubChemData

Smile

CC1=C(C(=NC=C1Br)C)NS(=O)(=O)C2=CC=CC(=C2Cl)F

DOS

IR

Vibrations