Geometry & MOs

Info

ID:	140050
PubChem CID:	52637057
Reduced:	FSN3O3H18C21 (1)
Stoich.:	ABC3D3E18F21 (1)
Weight, g/mol:	398.149124
ΔH_f, kcal/mol:	-56.38
Dipole, Da:	3.26
IP(EA), eV:	-8.09(-1.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-(1-cyclopropyltetrazol-5-yl)phenyl]-2-oxo-6-phenyl-1H-pyridine-3-carboxamide

Drug info:

PubChemData

Smile

COC1=CC2=C(C=C1)N(C=C2)CC(=O)NC3=NC(=CS3)C4=CC(=C(C=C4)OC)F

DOS

IR

Vibrations