Geometry & MOs

Info

ID:

132390

PubChem CID:

51354485

Reduced:

FN2O2C12H17 (2)

Stoich.:

AB2C2D12E17 (2)

Weight, g/mol:

872.396959

ΔHf, kcal/mol:

-278.51

Dipole, Da:

6.17

IP(EA), eV:

 -8.83(-0.5)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[[8-[(3,4-dimethoxyphenyl)methylamino]-4-[(3-methoxy-4-prop-2-enoxyphenyl)methylamino]-2-[2-(phenylcarbamoyloxy)propylamino]pyrimido[5,4-d]pyrimidin-6-yl]amino]propan-2-yl N-phenylcarbamate

Drug info:

PubChemData

Smile

CC1=CC2=C(C=C1C(=O)N([C@@H]3CCCNC3)C(C)C)N(C(=O)C(O2)(C)C)CCNC(=O)C(F)F

DOS

IR

Vibrations