Geometry & MOs

Info

ID:	135908
PubChem CID:	51956330
Reduced:	ClOSN4C19H23 (1)
Stoich.:	ABCD4E19F23 (1)
Weight, g/mol:	390.12811
ΔH_f, kcal/mol:	9.45
Dipole, Da:	4.55
IP(EA), eV:	-8.52(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-1-(6-chloropyridazin-3-yl)-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C[C@H](C1=CC=C(C=C1)SC)NC(=O)[C@@H]2CCCN(C2)C3=NN=C(C=C3)Cl

DOS

IR

Vibrations