Geometry & MOs

Info

ID:

43449

PubChem CID:

10321313

Reduced:

NSO2C28H31 (1)

Stoich.:

ABC2D28E31 (1)

Weight, g/mol:

445.120462

ΔHf, kcal/mol:

-28.72

Dipole, Da:

3.56

IP(EA), eV:

 -8.68(-0.17)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

7-[[(3R,3aS,6R,6aR)-6-fluoro-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl]oxy]-N-(3-chloro-2-methylphenyl)-6-methoxyquinazolin-4-amine

Drug info:

PubChemData

Smile

C1CCN(CC1)CCSC2=CC=C(C=C2)[C@H]3[C@H](COC4=C3C=CC(=C4)O)C5=CC=CC=C5

DOS

IR

Vibrations