Geometry & MOs

Info

ID:	207114
PubChem CID:	80348291
Reduced:	ON3C16H27 (1)
Stoich.:	AB3C16D27 (1)
Weight, g/mol:	254.072513
ΔH_f, kcal/mol:	-16.11
Dipole, Da:	3.46
IP(EA), eV:	-8.72(0.02)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-(5-carbamoylpyridin-2-yl)sulfanyl-2-methylpropanoate

Drug info:

PubChemData

Smile

CCN(CC1=C(N=CC=C1)OC)C2CCCCC2CN

DOS

IR

Vibrations