Geometry & MOs

Info

ID:	210594
PubChem CID:	80828581
Reduced:	SO2N6C9H10 (1)
Stoich.:	AB2C6D9E10 (1)
Weight, g/mol:	327.01533
ΔH_f, kcal/mol:	53.2
Dipole, Da:	2.52
IP(EA), eV:	-9.78(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-2-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]pyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

C1=CSC(=N1)CCNC2=NC=NC(=C2[N+](=O)[O-])N

DOS

IR

Vibrations