Geometry & MOs

Info

ID:

83999

PubChem CID:

49863130

Reduced:

SO4N10C28H40 (1)

Stoich.:

AB4C10D28E40 (1)

Weight, g/mol:

640.326771

ΔHf, kcal/mol:

-50.24

Dipole, Da:

3.65

IP(EA), eV:

 -8.52(-0.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[4-[[4-(3,4-dimethoxyphenyl)-6-methylsulfanylpyrimidin-2-yl]amino]-6-[3-(propylamino)morpholin-4-yl]-1,3,5-triazin-2-yl]-N-propylmorpholin-3-amine

Drug info:

PubChemData

Smile

CCNC1CN(CCO1)C2=NC(=NC(=N2)NC3=NC(=CC(=N3)SC)C4=CC(=C(C=C4)OC)OC)N5CCOC(C5)NCC

DOS

IR

Vibrations