Geometry & MOs

Info

ID:

326880

PubChem CID:

126688538

Reduced:

ClSO4N7C15H20 (1)

Stoich.:

ABC4D7E15F20 (1)

Weight, g/mol:

484.1408

ΔHf, kcal/mol:

-85.39

Dipole, Da:

7.52

IP(EA), eV:

 -8.48(-0.47)

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]pyrrolidine-1-sulfonamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations