Geometry & MOs

Info

ID:	18064
PubChem CID:	536022
Reduced:	ClOSN2C17H23 (1)
Stoich.:	ABCD2E17F23 (1)
Weight, g/mol:	338.121962
ΔH_f, kcal/mol:	-15.37
Dipole, Da:	5.59
IP(EA), eV:	-8.19(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-chlorophenyl)-N,N-diethyl-3-morpholin-4-ylprop-2-enethioamide

Drug info:

PubChemData

Smile

CCN(CC)C(=S)C(=CN1CCOCC1)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations