Geometry & MOs

Info

ID:	130622
PubChem CID:	51091787
Reduced:	ON3H7C9 (2)
Stoich.:	AB3C7D9 (2)
Weight, g/mol:	332.119464
ΔH_f, kcal/mol:	77.08
Dipole, Da:	6.38
IP(EA), eV:	-9.35(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethylsulfanyl-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CN=C(O2)CNC(=O)C3=CC(=NC=C3)N4C=NC=N4

DOS

IR

Vibrations