Geometry & MOs

Info

ID:	31204
PubChem CID:	855167
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	345.151098
ΔH_f, kcal/mol:	-64.76
Dipole, Da:	6.87
IP(EA), eV:	-8.33(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(6-ethyl-5-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(2,4,6-trimethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)S[C@@H](C)C(=O)NC2=CC=C(C=C2)C)C

DOS

IR

Vibrations