Geometry & MOs

Info

ID:	288525
PubChem CID:	104318658
Reduced:	NSO2C12H17 (1)
Stoich.:	ABC2D12E17 (1)
Weight, g/mol:	210.107836
ΔH_f, kcal/mol:	-91.04
Dipole, Da:	3.35
IP(EA), eV:	-8.48(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2,5-dimethylphenyl)sulfanylbutan-2-ol

Drug info:

PubChemData

Smile

CC(CCSC1=CC=C(C=C1)NC(=O)C)O

DOS

IR

Vibrations