Geometry & MOs

Info

ID:	6425
PubChem CID:	68590
Reduced:	SO2N4C14H18 (1)
Stoich.:	AB2C4D14E18 (1)
Weight, g/mol:	306.115047
ΔH_f, kcal/mol:	-30.71
Dipole, Da:	2.5
IP(EA), eV:	-8.04(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(3,5-dimethoxy-4-methylsulfanylphenyl)methyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=CC(=CC(=C1SC)OC)CC2=CN=C(N=C2N)N

DOS

IR

Vibrations