Geometry & MOs

Info

ID:	150961
PubChem CID:	53790658
Reduced:	ClNS2O4C18H18 (1)
Stoich.:	ABC2D4E18F18 (1)
Weight, g/mol:	193.073893
ΔH_f, kcal/mol:	-110.02
Dipole, Da:	4.5
IP(EA), eV:	-9.11(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-4-(5-hydroxy-4-methoxypyridin-2-yl)but-3-en-2-one

Drug info:

PubChemData

Smile

C1=CC(=CC=C1CSCCNS(=O)(=O)C2=CC=C(C=C2)Cl)C=CC(=O)O

DOS

IR

Vibrations