Geometry & MOs

Info

ID:	413033
PubChem CID:	135085977
Reduced:	ClOSH13C18 (1)
Stoich.:	ABCD13E18 (1)
Weight, g/mol:	344.01156
ΔH_f, kcal/mol:	94.54
Dipole, Da:	2.12
IP(EA), eV:	-8.75(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-fluoro-4-(3-phenylselanyl-1-prop-2-ynoxyprop-2-ynyl)benzene

Drug info:

PubChemData

Smile

C#CCOC(C#CSC1=CC=CC=C1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations