Geometry & MOs

Info

ID:	417865
PubChem CID:	135102936
Reduced:	ClO2N3C18H22 (1)
Stoich.:	AB2C3D18E22 (1)
Weight, g/mol:	344.155849
ΔH_f, kcal/mol:	-40.4
Dipole, Da:	4.79
IP(EA), eV:	-8.63(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-benzylsulfanyl-N-[(2-methoxy-4,6-dimethylpyridin-3-yl)methyl]propanamide

Drug info:

PubChemData

Smile

CN1C[C@H]2CN([C@@H](C1)COC2)C(=O)C3=CC4=C(N3C)C(=CC=C4)Cl

DOS

IR

Vibrations