Geometry & MOs

Info

ID:

162720

PubChem CID:

57551585

Reduced:

SF2O4N7C33H41 (1)

Stoich.:

AB2C4D7E33F41 (1)

Weight, g/mol:

630.20721

ΔHf, kcal/mol:

-186.87

Dipole, Da:

9.06

IP(EA), eV:

 -8.36(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[[5-(3,5-difluorophenyl)sulfonyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]carbamoyl]-5-morpholin-4-ylphenyl]oxane-4-carboxamide

Drug info:

PubChemData

Smile

C1CCN(C1)C2CCN(CC2)C3=CC(=C(C=C3)C(=O)NC4=NNC5=C4CN(CC5)S(=O)(=O)C6=CC(=CC(=C6)F)F)NC7CCOCC7

DOS

IR

Vibrations