Geometry & MOs

Info

ID:	70697
PubChem CID:	48413736
Reduced:	SN3O3C19H25 (1)
Stoich.:	AB3C3D19E25 (1)
Weight, g/mol:	400.182064
ΔH_f, kcal/mol:	-81.09
Dipole, Da:	5.62
IP(EA), eV:	-8.61(-0.59)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[1-(4-methoxyphenyl)-2-morpholin-4-ylethyl]-2-phenylsulfanylpropanamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)CC(=O)NC(CN2CCOCC2)C3=CC=C(C=C3)OC

DOS

IR

Vibrations