Geometry & MOs

Info

ID:	158782
PubChem CID:	56468413
Reduced:	FSO3N5C20H20 (1)
Stoich.:	ABC3D5E20F20 (1)
Weight, g/mol:	438.127423
ΔH_f, kcal/mol:	-59.17
Dipole, Da:	10.75
IP(EA), eV:	-9.4(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC=C(S1)C(=O)CCC(=O)CCC(=O)NC2=CC(=C(C=C2)F)N3C(=NN=N3)C

DOS

IR

Vibrations