Geometry & MOs

Info

ID:	211019
PubChem CID:	80883959
Reduced:	OSN5C11H21 (1)
Stoich.:	ABC5D11E21 (1)
Weight, g/mol:	330.95904
ΔH_f, kcal/mol:	-11.68
Dipole, Da:	4.26
IP(EA), eV:	-8.9(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-4-(2,5-difluorophenyl)sulfanyl-N-methylpyrimidin-2-amine

Drug info:

PubChemData

Smile

CCN(CC)C1=NC(=NC(=N1)NC)SCCOC

DOS

IR

Vibrations