Geometry & MOs

Info

ID:	56565
PubChem CID:	17436349
Reduced:	SN2O2H16C18 (1)
Stoich.:	AB2C2D16E18 (1)
Weight, g/mol:	321.096955
ΔH_f, kcal/mol:	-5.97
Dipole, Da:	2.11
IP(EA), eV:	-8.76(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1-thiophen-2-ylethyl)-2-(4,5,6-trimethylpyrimidin-2-yl)sulfanylacetamide

Drug info:

PubChemData

Smile

COC1=CC=CC(=C1)CC(=O)NC2=CC=C(C=C2)C3=NC=CS3

DOS

IR

Vibrations