Geometry & MOs

Info

ID:	158762
PubChem CID:	56468347
Reduced:	FO3N6C22H25 (1)
Stoich.:	AB3C6D22E25 (1)
Weight, g/mol:	419.111771
ΔH_f, kcal/mol:	-70.49
Dipole, Da:	11.89
IP(EA), eV:	-9.03(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide

Drug info:

PubChemData

Smile

CCN1C(=C(C(=C1C)C(=O)OCC)/C=C/C(=O)NC2=CC(=C(C=C2)F)N3C(=NN=N3)C)C

DOS

IR

Vibrations