Geometry & MOs

Info

ID:	209887
PubChem CID:	80735224
Reduced:	ClN2S2O6C10H13 (1)
Stoich.:	AB2C2D6E10F13 (1)
Weight, g/mol:	252.057802
ΔH_f, kcal/mol:	-146.5
Dipole, Da:	6.35
IP(EA), eV:	-9.91(-2.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-chloro-4-N-(5-fluoro-2-methylphenyl)pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCN(CC(=O)OCC)S(=O)(=O)C1=CC(=C(S1)Cl)[N+](=O)[O-]

DOS

IR

Vibrations