Geometry & MOs

Info

ID:	143033
PubChem CID:	53136034
Reduced:	SO3N5C25H29 (1)
Stoich.:	AB3C5D25E29 (1)
Weight, g/mol:	429.163474
ΔH_f, kcal/mol:	-33.54
Dipole, Da:	3.75
IP(EA), eV:	-8.29(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-cyclopropyl-1-[6-[2-(4-fluoroanilino)-2-oxoethyl]sulfanylpyridazin-3-yl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)N3C=C(N=C3)C(=O)N4CCN(CC4)C5=CC=CC=C5

DOS

IR

Vibrations