Geometry & MOs

Info

ID:	307165
PubChem CID:	125275567
Reduced:	ON5C17H23 (1)
Stoich.:	AB5C17D23 (1)
Weight, g/mol:	485.144299
ΔH_f, kcal/mol:	15.21
Dipole, Da:	8.45
IP(EA), eV:	-8.7(-0.96)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[[(5S)-5-(4-tert-butylphenyl)sulfonyl-4-oxo-5H-pyrimidin-2-yl]sulfanyl]-N-(3-ethylphenyl)acetamide

Drug info:

PubChemData

Smile

CCCC1=NC(=NC(=O)C1)N=C(N)NC2=CC=C(C=C2)C(C)C

DOS

IR

Vibrations