Geometry & MOs

Info

ID:	170043
PubChem CID:	75187327
Reduced:	FO2S2N3C26H26 (1)
Stoich.:	AB2C2D3E26F26 (1)
Weight, g/mol:	354.078662
ΔH_f, kcal/mol:	-58.41
Dipole, Da:	6.48
IP(EA), eV:	-8.32(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4-methyl-5-methylidene-6-oxopyrimidin-2-yl)sulfanyl-N-(4-phenyl-1,2-oxazol-5-yl)acetamide

Drug info:

PubChemData

Smile

CCN(C1=CC=CC=C1)C(=O)CN2C(=O)C3CCCCC3N4C2=C(SC4=S)C5=CC=CC=C5F

DOS

IR

Vibrations