Geometry & MOs

Info

ID:	291793
PubChem CID:	113516979
Reduced:	SO2N3C12H19 (1)
Stoich.:	AB2C3D12E19 (1)
Weight, g/mol:	340.98336
ΔH_f, kcal/mol:	-68.65
Dipole, Da:	5.95
IP(EA), eV:	-8.76(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-bromo-2-methyl-N-(4-methylsulfonylphenyl)pyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC(=NC=C1C(=O)O)N(C)C(C)CCSC

DOS

IR

Vibrations