Geometry & MOs

Info

ID:	233502
PubChem CID:	90944928
Reduced:	ClNSO6C34H36 (1)
Stoich.:	ABCD6E34F36 (1)
Weight, g/mol:	166.045236
ΔH_f, kcal/mol:	-107.99
Dipole, Da:	7.49
IP(EA), eV:	-9.26(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(2-methylsulfanylethenyl)phenol

Drug info:

PubChemData

Smile

CCCC(=O)OOC1=CC(=CC=C1)S(=O)(=O)C2=CC=C(C=C2)CCCN(CC3=CC=CC=C3)C[C@@H](C4=CC(=CC=C4)Cl)O

DOS

IR

Vibrations