Geometry & MOs

Info

ID:	42058
PubChem CID:	8149028
Reduced:	FOSN3C19H20 (1)
Stoich.:	ABCD3E19F20 (1)
Weight, g/mol:	298.12772
ΔH_f, kcal/mol:	-54.06
Dipole, Da:	3.12
IP(EA), eV:	-8.66(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations