Geometry & MOs

Info

ID:	158767
PubChem CID:	56468357
Reduced:	F2O2N5H17C22 (1)
Stoich.:	A2B2C5D17E22 (1)
Weight, g/mol:	423.145516
ΔH_f, kcal/mol:	-21.6
Dipole, Da:	5.81
IP(EA), eV:	-9.54(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-fluoro-3-(5-methyltetrazol-1-yl)phenyl]-4-oxo-4-(3-oxo-2,4-dihydroquinoxalin-1-yl)butanamide

Drug info:

PubChemData

Smile

CC1=NN=NN1C2=C(C=CC(=C2)NC(=O)C3=CC(=CC=C3)OCC4=CC=C(C=C4)F)F

DOS

IR

Vibrations