Geometry & MOs

Info

ID:	158751
PubChem CID:	56468315
Reduced:	O2F3N6H19C20 (1)
Stoich.:	A2B3C6D19E20 (1)
Weight, g/mol:	458.13028
ΔH_f, kcal/mol:	-116.22
Dipole, Da:	11.81
IP(EA), eV:	-9.35(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]benzamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)[C@H](C(C)C)NC(=O)C3=C(C=CC=C3F)F)F

DOS

IR

Vibrations