Geometry & MOs

Info

ID:	421206
PubChem CID:	135115558
Reduced:	ClSN6C10H13 (1)
Stoich.:	ABC6D10E13 (1)
Weight, g/mol:	337.126026
ΔH_f, kcal/mol:	75.15
Dipole, Da:	4.92
IP(EA), eV:	-9.06(-0.45)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-(4-fluorophenyl)sulfonylethyl]-2-methyl-5-propylpyrimidin-4-amine

Drug info:

PubChemData

Smile

CC1=NC=C(C(=N1)NCCSC2=NN=CN2C)Cl

DOS

IR

Vibrations