Geometry & MOs

Info

ID:	448852
PubChem CID:	135294043
Reduced:	O4N5C26H29 (1)
Stoich.:	A4B5C26D29 (1)
Weight, g/mol:	218.025764
ΔH_f, kcal/mol:	-80.66
Dipole, Da:	5.89
IP(EA), eV:	-8.38(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-ethylthiophen-2-yl)-1-methylsulfanylethanethiol

Drug info:

PubChemData

Smile

C1C[C@@H](N(C1)C2=C3C(=NC=N2)N(CN3)CCC4CCOC4=O)COC5=CC=CC6=C5C=C(C=C6)O

DOS

IR

Vibrations