Geometry & MOs

Info

ID:

326879

PubChem CID:

126688529

Reduced:

ClSO4N7C17H22 (1)

Stoich.:

ABC4D7E17F22 (1)

Weight, g/mol:

429.098601

ΔHf, kcal/mol:

-79.65

Dipole, Da:

3.7

IP(EA), eV:

 -8.3(-0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(3R,6S)-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]methanesulfonamide

Drug info:

PubChemData

Smile

CN1C=C(C=N1)NC2=NC=C(C(=N2)N[C@@H]3COC4C3OC[C@@H]4N5CCCS5(=O)=O)Cl

DOS

IR

Vibrations