Geometry & MOs

Info

ID:	211021
PubChem CID:	80884217
Reduced:	FOSN3C7H10 (1)
Stoich.:	ABCD3E7F10 (1)
Weight, g/mol:	290.083747
ΔH_f, kcal/mol:	-46.12
Dipole, Da:	2.44
IP(EA), eV:	-8.94(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-2-methyl-6-(2-nitrophenyl)sulfanylpyrimidin-4-amine

Drug info:

PubChemData

Smile

COCCSC1=NC(=NC=C1F)N

DOS

IR

Vibrations