Geometry & MOs

Info

ID:	411769
PubChem CID:	135084603
Reduced:	BrNSO2C12H14 (1)
Stoich.:	ABCD2E12F14 (1)
Weight, g/mol:	220.092186
ΔH_f, kcal/mol:	-9.11
Dipole, Da:	6.13
IP(EA), eV:	-9.36(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-hex-1-ynylsulfanyl-4-methoxybenzene

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C#CC1=CC=CC=C1Br

DOS

IR

Vibrations