Geometry & MOs

Info

ID:	320798
PubChem CID:	126663495
Reduced:	SN2H12C15 (1)
Stoich.:	AB2C12D15 (1)
Weight, g/mol:	208.128572
ΔH_f, kcal/mol:	90.78
Dipole, Da:	2.19
IP(EA), eV:	-8.33(-0.93)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-butyl-2,3,5-trimethylbenzenethiol

Drug info:

PubChemData

Smile

C1CN=C2C(=C1C3=CC4=CC=CC=C4S3)C=CN2

DOS

IR

Vibrations