Geometry & MOs

Info

ID:	280168
PubChem CID:	103847317
Reduced:	SN2O2C15H18 (1)
Stoich.:	AB2C2D15E18 (1)
Weight, g/mol:	204.118401
ΔH_f, kcal/mol:	-49.32
Dipole, Da:	5.15
IP(EA), eV:	-9.33(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-(2-methyloxolan-3-yl)sulfanylpentan-1-ol

Drug info:

PubChemData

Smile

CC1C(CCO1)SC(C)C(=O)NC2=CC=CC(=C2)C#N

DOS

IR

Vibrations