Geometry & MOs

Info

ID:	179876
PubChem CID:	76548889
Reduced:	NS2C5O8H9 (1)
Stoich.:	AB2C5D8E9 (1)
Weight, g/mol:	434.217872
ΔH_f, kcal/mol:	-342.03
Dipole, Da:	3.74
IP(EA), eV:	-9.84(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(2-aminocyclohexyl)amino]-4-[3-(4-methoxypyrimidin-2-yl)anilino]pyrimidine-5-carboxamide

Drug info:

PubChemData

Smile

C(CC(=O)OS(=O)O)C(C(=O)OS(=O)O)N

DOS

IR

Vibrations