Geometry & MOs

Info

ID:	202302
PubChem CID:	79654473
Reduced:	O2S2N3C8H11 (1)
Stoich.:	A2B2C3D8E11 (1)
Weight, g/mol:	281.119798
ΔH_f, kcal/mol:	-36.3
Dipole, Da:	6.77
IP(EA), eV:	-9.49(-1.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 1-(methylamino)-3-(5-methylpyrimidin-2-yl)sulfanylcyclopentane-1-carboxylate

Drug info:

PubChemData

Smile

C1CC(CC1SC2=NN=CS2)(C(=O)O)N

DOS

IR

Vibrations