Geometry & MOs

Info

ID:	42071
PubChem CID:	8149148
Reduced:	OSN3C23H23 (1)
Stoich.:	ABC3D23E23 (1)
Weight, g/mol:	338.041797
ΔH_f, kcal/mol:	8.21
Dipole, Da:	2.32
IP(EA), eV:	-8.62(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3-chlorophenyl)methyl]-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