Geometry & MOs

Info

ID:

181737

PubChem CID:

76786914

Reduced:

SF2O4N6C33H46 (1)

Stoich.:

AB2C4D6E33F46 (1)

Weight, g/mol:

633.279647

ΔHf, kcal/mol:

-203.71

Dipole, Da:

13.67

IP(EA), eV:

 -8.41(-1.08)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[5-(3,5-difluorophenyl)sulfonyl-1,2,3,3a,4,6,7,7a-octahydropyrazolo[4,3-c]pyridin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxy-2-(oxan-4-ylamino)phenyl]ethanone

Drug info:

PubChemData

Smile

CN(CCN1CCCCC1)C2=CC(=C(C=C2)C(=O)CC3C4CN(CCC4NN3)S(=O)(=O)C5=CC(=CC(=C5)F)F)NC6CCOCC6

DOS

IR

Vibrations