Geometry & MOs

Info

ID:

230401

PubChem CID:

87570798

Reduced:

NiS4O8C156H240 (1)

Stoich.:

AB4C8D156E240 (1)

Weight, g/mol:

361.085414

ΔHf, kcal/mol:

-355.86

Dipole, Da:

4.78

IP(EA), eV:

 -7.63(-3.74)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-(2-chloro-3-fluoropyridin-4-yl)-4-morpholin-4-ylpteridin-2-amine

Drug info:

PubChemData

Smile

CCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC2=CC=C(C=C2)C(=C(C3=CC=C(C=C3)C=CC4=CC(=C(C=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)S)S)OCCCCCCCCCCCC.CCCCCCCCCCCCOC1=C(C=C(C=C1)C=CC2=CC=C(C=C2)C(=C(C3=CC=C(C=C3)C=CC4=CC(=C(C=C4)OCCCCCCCCCCCC)OCCCCCCCCCCCC)S)S)OCCCCCCCCCCCC.[Ni]

DOS

IR

Vibrations