Geometry & MOs

Info

ID:	42081
PubChem CID:	8149158
Reduced:	OS2N3H17C22 (1)
Stoich.:	AB2C3D17E22 (1)
Weight, g/mol:	350.068491
ΔH_f, kcal/mol:	65.55
Dipole, Da:	2.0
IP(EA), eV:	-8.54(-1.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[(5-nitro-6-oxo-1H-pyrimidin-4-yl)oxy]-N-(2-phenylsulfanylethyl)acetamide

Drug info:

PubChemData

Smile

C[C@H](C1=NC2=C(C(=CS2)C3=CC=CS3)C(=O)N1)NC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations