Geometry & MOs

Info

ID:

326934

PubChem CID:

126688718

Reduced:

N4O7C35H46 (1)

Stoich.:

A4B7C35D46 (1)

Weight, g/mol:

422.967032

ΔHf, kcal/mol:

-304.48

Dipole, Da:

5.91

IP(EA), eV:

 -8.85(-0.45)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[3-[(2,5-dichloropyrimidin-4-yl)amino]-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] trifluoromethanesulfonate

Drug info:

PubChemData

Smile

C[C@@H](C(=O)N[C@H]1CC2=CC(=C(C=C2[C@H]3CC(C(N3C1=O)C(=O)N[C@@H]4CCCC5=CC=CC=C45)(C)C)O)O)N(C)C(=O)OC(C)(C)C

DOS

IR

Vibrations