Geometry & MOs

Info

ID:	211033
PubChem CID:	80886359
Reduced:	SO2N5C11H19 (1)
Stoich.:	AB2C5D11E19 (1)
Weight, g/mol:	245.098669
ΔH_f, kcal/mol:	-54.71
Dipole, Da:	4.9
IP(EA), eV:	-9.04(-0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,5-dimethyl-4-(2-methylphenyl)sulfanylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCNC1=NC(=NC(=N1)SCC(=O)OCC)N(C)C

DOS

IR

Vibrations