Geometry & MOs

Info

ID:	378835
PubChem CID:	134224936
Reduced:	ClO2N4C19H19 (1)
Stoich.:	AB2C4D19E19 (1)
Weight, g/mol:	269.943969
ΔH_f, kcal/mol:	-17.2
Dipole, Da:	3.84
IP(EA), eV:	-9.08(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methylsulfanyl-1-(2,3,6-trichlorophenyl)ethanol

Drug info:

PubChemData

Smile

CCNC1=NC=CC(=N1)C2=CC(=O)N(C=C2)C(CO)C3=CC(=CC=C3)Cl

DOS

IR

Vibrations