Geometry & MOs

Info

ID:	413032
PubChem CID:	135085976
Reduced:	IO3H19C20 (1)
Stoich.:	AB3C19D20 (1)
Weight, g/mol:	312.037564
ΔH_f, kcal/mol:	28.97
Dipole, Da:	9.0
IP(EA), eV:	-8.74(-2.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-chloro-4-(3-phenylsulfanyl-1-prop-2-ynoxyprop-2-ynyl)benzene

Drug info:

PubChemData

Smile

CC(C)(C#CI1C2=CC=CC=C2C(=O)O1)OCCC3=CC=CC=C3

DOS

IR

Vibrations