Geometry & MOs

Info

ID:	243438
PubChem CID:	99222793
Reduced:	F3O3N4C23H23 (1)
Stoich.:	A3B3C4D23E23 (1)
Weight, g/mol:	460.172225
ΔH_f, kcal/mol:	-196.93
Dipole, Da:	9.98
IP(EA), eV:	-10.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-1-(cyclopentylamino)-1-oxopropan-2-yl]-3-methyl-6-[2-(trifluoromethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC2=C1C(=CC(=N2)C3=CC=CC=C3C(F)(F)F)C(=O)N[C@@H](C)C(=O)NC4CCCC4

DOS

IR

Vibrations