Geometry & MOs

Info

ID:	242974
PubChem CID:	99214663
Reduced:	N3O4C25H31 (1)
Stoich.:	A3B4C25D31 (1)
Weight, g/mol:	458.175419
ΔH_f, kcal/mol:	-160.05
Dipole, Da:	5.26
IP(EA), eV:	-9.54(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(2-fluorophenyl)-3-methyl-N-[(1S)-2-(2-oxopyrrolidin-1-yl)-1-phenylethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NCC1=CC=C(C=C1)C(=O)N[C@@H](CN2CCCC2=O)C3=CC=CC=C3

DOS

IR

Vibrations