Geometry & MOs

Info

ID:	280177
PubChem CID:	103847353
Reduced:	ClOSN2C11H17 (1)
Stoich.:	ABCD2E11F17 (1)
Weight, g/mol:	218.097666
ΔH_f, kcal/mol:	-29.54
Dipole, Da:	2.84
IP(EA), eV:	-8.72(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 4-(2-methyloxolan-3-yl)sulfanylbutanoate

Drug info:

PubChemData

Smile

CC1C(CCO1)SCC2=C(N(N=C2C)C)Cl

DOS

IR

Vibrations