Geometry & MOs

Info

ID:	285039
PubChem CID:	104092610
Reduced:	ClNSO2H12C13 (1)
Stoich.:	ABCD2E12F13 (1)
Weight, g/mol:	206.076536
ΔH_f, kcal/mol:	-16.13
Dipole, Da:	9.43
IP(EA), eV:	-9.53(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-methylsulfanyl-2-pent-4-ynoxybenzene

Drug info:

PubChemData

Smile

C#CCCCN1C=C(C2=CC=CC=C21)S(=O)(=O)Cl

DOS

IR

Vibrations