Geometry & MOs

Info

ID:	145833
PubChem CID:	53600174
Reduced:	NSF3O4C12H16 (1)
Stoich.:	ABC3D4E12F16 (1)
Weight, g/mol:	347.105211
ΔH_f, kcal/mol:	-307.41
Dipole, Da:	3.27
IP(EA), eV:	-8.52(-0.06)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-N-[2-(benzenesulfinyl)ethyl]-4-N-cyclopropyl-5-nitropyrimidine-2,4-diamine

Drug info:

PubChemData

Smile

CCOC1=CC=CC=C1NS(=O)(=O)CCOCC(F)(F)F

DOS

IR

Vibrations