Geometry & MOs

Info

ID:	401351
PubChem CID:	135051035
Reduced:	ClNSH6C8 (1)
Stoich.:	ABCD6E8 (1)
Weight, g/mol:	338.209324
ΔH_f, kcal/mol:	82.18
Dipole, Da:	2.39
IP(EA), eV:	-8.81(-0.85)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl [1-[6-(oxan-2-yloxy)hex-1-ynyl]cyclohexyl] carbonate

Drug info:

PubChemData

Smile

C#CSNC1=CC=C(C=C1)Cl

DOS

IR

Vibrations