Geometry & MOs

Info

ID:	238021
PubChem CID:	92728831
Reduced:	N5O5C24H31 (1)
Stoich.:	A5B5C24D31 (1)
Weight, g/mol:	344.128469
ΔH_f, kcal/mol:	-178.18
Dipole, Da:	3.66
IP(EA), eV:	-8.95(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-butan-2-yl]-2-[[3-(3-fluorophenyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-yl]oxy]acetamide

Drug info:

PubChemData

Smile

CN1C(=CC(=O)N(C1=O)C)N2CCCN(CC2)C(=O)[C@H]3CC(=O)N(C3)CC4=CC=C(C=C4)OC

DOS

IR

Vibrations