Geometry & MOs

Info

ID:	338421
PubChem CID:	127259113
Reduced:	SO2N3C8H11 (1)
Stoich.:	AB2C3D8E11 (1)
Weight, g/mol:	199.041548
ΔH_f, kcal/mol:	-58.88
Dipole, Da:	2.83
IP(EA), eV:	-8.8(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-aminopyrimidin-2-yl)sulfanylmethyl acetate

Drug info:

PubChemData

Smile

CC(=O)OCCSC1=NC=CC(=N1)N

DOS

IR

Vibrations