Geometry & MOs

Info

ID:	157909
PubChem CID:	56458961
Reduced:	FSO3N7H16C19 (1)
Stoich.:	ABC3D7E16F19 (1)
Weight, g/mol:	447.125529
ΔH_f, kcal/mol:	10.24
Dipole, Da:	12.47
IP(EA), eV:	-9.28(-1.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[2-fluoro-5-(5-methyltetrazol-1-yl)phenyl]-6-(4-fluorophenyl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=CC(=C(C=C2)F)NC(=O)CSC3=NN=C(O3)C4=CC=C(C=C4)OC

DOS

IR

Vibrations