Geometry & MOs

Info

ID:	314321
PubChem CID:	126621348
Reduced:	FH12C16 (2)
Stoich.:	AB12C16 (2)
Weight, g/mol:	323.058027
ΔH_f, kcal/mol:	7.16
Dipole, Da:	3.11
IP(EA), eV:	-8.9(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1,3-difluoro-2-isothiocyanato-5-(4-phenylphenyl)benzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=C(C=C(C=C2)C3=CC=C(C=C3)C4=C(C(=C(C=C4)C5=CC=CC=C5)F)F)C

DOS

IR

Vibrations