Geometry & MOs

Info

ID:	140706
PubChem CID:	52743382
Reduced:	NOCl2S2C13H15 (1)
Stoich.:	ABC2D2E13F15 (1)
Weight, g/mol:	438.057169
ΔH_f, kcal/mol:	-45.41
Dipole, Da:	2.62
IP(EA), eV:	-8.86(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2,4-dichlorophenyl)methylsulfanyl]-N-[3-(morpholine-4-carbonyl)phenyl]acetamide

Drug info:

PubChemData

Smile

C1CSCCN1C(=O)CSCC2=C(C=C(C=C2)Cl)Cl

DOS

IR

Vibrations