Geometry & MOs

Info

ID:	121455
PubChem CID:	50768624
Reduced:	OSN4C25H28 (1)
Stoich.:	ABC4D25E28 (1)
Weight, g/mol:	499.225326
ΔH_f, kcal/mol:	41.99
Dipole, Da:	6.74
IP(EA), eV:	-8.12(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 4-[[1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]piperidine-4-carbonyl]amino]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

CC(CNC(=O)C1CCN(CC1)C2=NN=C(C=C2)SC3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations