Geometry & MOs

Info

ID:

326918

PubChem CID:

126688673

Reduced:

ClO4N7C15H18 (1)

Stoich.:

AB4C7D15E18 (1)

Weight, g/mol:

421.12653

ΔHf, kcal/mol:

-89.03

Dipole, Da:

6.82

IP(EA), eV:

 -8.59(-0.59)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[(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]-1,3-oxazolidin-2-one

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations