Geometry & MOs

Info

ID:	42077
PubChem CID:	8149154
Reduced:	SN3O3H21C22 (1)
Stoich.:	AB3C3D21E22 (1)
Weight, g/mol:	364.084141
ΔH_f, kcal/mol:	-71.47
Dipole, Da:	4.53
IP(EA), eV:	-8.67(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@@H](C)NC3=CC4=CC=CC=C4C=C3)C

DOS

IR

Vibrations