Geometry & MOs

Info

ID:

431315

PubChem CID:

135171386

Reduced:

BrOS2N4C12H17 (1)

Stoich.:

ABC2D4E12F17 (1)

Weight, g/mol:

837.407464

ΔHf, kcal/mol:

21.44

Dipole, Da:

2.47

IP(EA), eV:

 -8.15(-0.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[[2-[5-[1-[6-[(3-cyanophenyl)methylcarbamoyl]-4-methylpyridazin-3-yl]piperidin-4-yl]oxy-2-methoxypyridin-3-yl]pyridin-4-yl]methyl]-6-[4-(cyclopropylmethoxy)piperidin-1-yl]-5-methylpyridazine-3-carboxamide

Drug info:

PubChemData

Smile

CN1C(N(C=C1Br)C2=CSC(=N2)N3CCOCC3)SC

DOS

IR

Vibrations