Geometry & MOs

Info

ID:	159151
PubChem CID:	57261352
Reduced:	NF3H8C11 (1)
Stoich.:	AB3C8D11 (1)
Weight, g/mol:	491.83457
ΔH_f, kcal/mol:	-87.71
Dipole, Da:	0.99
IP(EA), eV:	-9.09(-1.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-bromo-4-[2-[2-(4-bromophenyl)sulfanylethynylsulfonyl]ethylsulfanyl]benzene

Drug info:

PubChemData

Smile

CC1=C(C(=CC(=C1F)F)F)N2C=CC=C2

DOS

IR

Vibrations