Geometry & MOs

Info

ID:	26931
PubChem CID:	804412
Reduced:	NOC15H21 (1)
Stoich.:	ABC15D21 (1)
Weight, g/mol:	208.001657
ΔH_f, kcal/mol:	-56.07
Dipole, Da:	3.63
IP(EA), eV:	-9.5(-0.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-thiophen-2-ylsulfanylphenol

Drug info:

PubChemData

Smile

C[C@H]1CCCC[C@H]1NC(=O)C2=CC=CC=C2C

DOS

IR

Vibrations