Geometry & MOs

Info

ID:	84714
PubChem CID:	49869413
Reduced:	ClN3S3O4H20C23 (1)
Stoich.:	AB3C3D4E20F23 (1)
Weight, g/mol:	241.110279
ΔH_f, kcal/mol:	-72.53
Dipole, Da:	5.41
IP(EA), eV:	-8.91(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-hydroxy-4-methylphenyl)-3-pyridin-2-ylpropan-1-one

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)CC(=O)N[C@@H](CC2=CC=C(C=C2)NS(=O)(=O)O)C3=CSC(=N3)C4=CC=CS4)Cl

DOS

IR

Vibrations