Geometry & MOs

Info

ID:	121456
PubChem CID:	50768625
Reduced:	SO4N5C25H33 (1)
Stoich.:	AB4C5D25E33 (1)
Weight, g/mol:	438.172562
ΔH_f, kcal/mol:	-120.72
Dipole, Da:	5.93
IP(EA), eV:	-8.31(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[6-(3-methoxyphenyl)sulfanylpyridazin-3-yl]-N-[(5-methylfuran-2-yl)methyl]piperidine-4-carboxamide

Drug info:

PubChemData

Smile

CCOC(=O)N1CCC(CC1)NC(=O)C2CCN(CC2)C3=NN=C(C=C3)SC4=CC=CC(=C4)OC

DOS

IR

Vibrations