Geometry & MOs

Info

ID:

326887

PubChem CID:

126688563

Reduced:

NC18H37 (4)

Stoich.:

AB18C37 (4)

Weight, g/mol:

498.15645

ΔHf, kcal/mol:

-286.02

Dipole, Da:

1.69

IP(EA), eV:

 -8.06(2.44)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[3-[[5-chloro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]piperidine-1-sulfonamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCN1CCN(CCN(CCN(CC1)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCC

DOS

IR

Vibrations