Geometry & MOs

Info

ID:	155400
PubChem CID:	56354977
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	445.159076
ΔH_f, kcal/mol:	-103.8
Dipole, Da:	3.3
IP(EA), eV:	-8.64(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[4-[2-(4-chlorophenyl)sulfanylpropanoylamino]phenyl]ethyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)NC2=CC=C(C=C2)CCN3CCC(CC3)C(=O)N

DOS

IR

Vibrations