Geometry & MOs

Info

ID:	31560
PubChem CID:	855870
Reduced:	SN2O4C17H20 (1)
Stoich.:	AB2C4D17E20 (1)
Weight, g/mol:	321.070261
ΔH_f, kcal/mol:	-107.22
Dipole, Da:	1.74
IP(EA), eV:	-8.9(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(3-chloro-2-methylphenyl)-2-(4,6-dimethylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)C2=NN=C(O2)SCC(=O)OC3CCCCC3

DOS

IR

Vibrations