Geometry & MOs

Info

ID:	19435
PubChem CID:	563642
Reduced:	NSO3C19H21 (1)
Stoich.:	ABC3D19E21 (1)
Weight, g/mol:	343.124215
ΔH_f, kcal/mol:	-51.62
Dipole, Da:	5.33
IP(EA), eV:	-8.34(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxy-3-phenylmethoxyphenyl)-morpholin-4-ylmethanethione

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C(=S)N2CCOCC2)OCC3=CC=CC=C3

DOS

IR

Vibrations