Geometry & MOs

Info

ID:	31201
PubChem CID:	855145
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	331.135448
ΔH_f, kcal/mol:	-67.19
Dipole, Da:	7.37
IP(EA), eV:	-8.32(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC1=C(C(=O)N=C(N1)SCC(=O)NC2=C(C=CC(=C2)C)C)C

DOS

IR

Vibrations