Geometry & MOs

Info

ID:	202108
PubChem CID:	79630025
Reduced:	SO2N4C8H14 (1)
Stoich.:	AB2C4D8E14 (1)
Weight, g/mol:	240.093249
ΔH_f, kcal/mol:	-46.05
Dipole, Da:	4.59
IP(EA), eV:	-8.67(0.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(6-aminopyridin-3-yl)sulfanyl-2,2-dimethylpropanoate

Drug info:

PubChemData

Smile

CC(C)(CSC1=NNC(=N1)N)C(=O)OC

DOS

IR

Vibrations