Geometry & MOs

Info

ID:	140625
PubChem CID:	52731689
Reduced:	ClSN3O3H16C18 (1)
Stoich.:	ABC3D3E16F18 (1)
Weight, g/mol:	467.220892
ΔH_f, kcal/mol:	-36.16
Dipole, Da:	1.79
IP(EA), eV:	-9.38(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethoxy-N-[4-[[(1R)-1-phenylethyl]amino]phenyl]-4-(pyridin-3-ylmethoxy)benzamide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(SC=C1C2=CC=CC=C2)NC(=O)CN3C=C(C=N3)Cl

DOS

IR

Vibrations