Geometry & MOs

Info

ID:	244554
PubChem CID:	99364948
Reduced:	SN3O4C24H27 (1)
Stoich.:	AB3C4D24E27 (1)
Weight, g/mol:	350.117904
ΔH_f, kcal/mol:	-72.23
Dipole, Da:	3.35
IP(EA), eV:	-9.48(-0.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-fluoro-5-pyrrol-1-ylphenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@H](CN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)NCC3=NOC(=C3)C4=CC=CC=C4)C

DOS

IR

Vibrations