Geometry & MOs

Info

ID:	42074
PubChem CID:	8149151
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	352.057447
ΔH_f, kcal/mol:	8.36
Dipole, Da:	2.5
IP(EA), eV:	-8.6(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C[C@@H]1CCC2=C(C1)SC3=C2C(=O)NC(=N3)[C@H](C)NC4=CC5=CC=CC=C5C=C4

DOS

IR

Vibrations