Geometry & MOs

Info

ID:

421581

PubChem CID:

135116259

Reduced:

SN6O9C35H48 (1)

Stoich.:

AB6C9D35E48 (1)

Weight, g/mol:

292.115796

ΔHf, kcal/mol:

-296.13

Dipole, Da:

8.59

IP(EA), eV:

 -8.97(-1.29)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-fluoro-4-N,4-N-dimethyl-2-N-[(3-methylsulfanylphenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C[C@@H]1C(=O)N[C@H](CN(CC(=O)N[C@H](C(=O)N[C@H](C(=O)N1)CC2=CC=C(C=C2)OC)CC(C)C)S(=O)(=O)C3=CC=C(O3)C4=C(C(=NO4)C)C)C(C)C

DOS

IR

Vibrations