Geometry & MOs

Info

ID:	140629
PubChem CID:	52731952
Reduced:	SO3N4H22C24 (1)
Stoich.:	AB3C4D22E24 (1)
Weight, g/mol:	361.074868
ΔH_f, kcal/mol:	-11.97
Dipole, Da:	1.95
IP(EA), eV:	-9.27(-0.75)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-cyanoanilino)-N-[(1S)-1-(2,4-dichlorophenyl)ethyl]-N-methylacetamide

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)C2=CC(=CC=C2)OCC3=CC=CS3)C(=O)C4=CC5=C(C=C4)N=CN5

DOS

IR

Vibrations