Geometry & MOs

Info

ID:	210032
PubChem CID:	80753386
Reduced:	FSO2N3H8C14 (1)
Stoich.:	ABC2D3E8F14 (1)
Weight, g/mol:	235.027917
ΔH_f, kcal/mol:	39.2
Dipole, Da:	5.98
IP(EA), eV:	-9.5(-1.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-chloro-N-(1-chloropropan-2-yl)-2-methoxypyrimidin-4-amine

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C(=NC=N2)SC3=CC(=CC(=C3)F)[N+](=O)[O-]

DOS

IR

Vibrations