Geometry & MOs

Info

ID:	131990
PubChem CID:	51287418
Reduced:	SN2O4C20H20 (1)
Stoich.:	AB2C4D20E20 (1)
Weight, g/mol:	301.124883
ΔH_f, kcal/mol:	-83.96
Dipole, Da:	3.39
IP(EA), eV:	-8.28(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-methyl-1-phenylpropyl)-2-pyrimidin-2-ylsulfanylacetamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)C2=CSC(=N2)NC(=O)CCC3=CC=CC=C3O)OC

DOS

IR

Vibrations