Geometry & MOs

Info

ID:	262450
PubChem CID:	103293557
Reduced:	ClSN2O4C13H15 (1)
Stoich.:	ABC2D4E13F15 (1)
Weight, g/mol:	306.124739
ΔH_f, kcal/mol:	-104.38
Dipole, Da:	5.23
IP(EA), eV:	-9.24(-0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-N-[(2-chloro-6-methoxyphenyl)methyl]-2-N-propylpyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

COC1=C(C(=CC=C1)Cl)CNS(=O)(=O)C2=CC=C(O2)CN

DOS

IR

Vibrations