Geometry & MOs

Info

ID:	330739
PubChem CID:	127248146
Reduced:	FSO3N4C21H21 (1)
Stoich.:	ABC3D4E21F21 (1)
Weight, g/mol:	424.154683
ΔH_f, kcal/mol:	-75.74
Dipole, Da:	2.32
IP(EA), eV:	-9.5(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-cyclopropyl-1,2-oxazole-3-carbonyl)-3-[[3-(4-fluorophenyl)-1,2-oxazol-5-yl]methyl]pyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C)C(=O)N2CCC(C2)(CC3=CC(=NO3)C4=CC=C(C=C4)F)C(=O)N

DOS

IR

Vibrations