Geometry & MOs

Info

ID:	436568
PubChem CID:	135205473
Reduced:	ClF4N5O6H22C27 (1)
Stoich.:	AB4C5D6E22F27 (1)
Weight, g/mol:	417.120382
ΔH_f, kcal/mol:	-329.73
Dipole, Da:	7.43
IP(EA), eV:	-9.32(-1.83)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-(tetrazol-1-yl)phenyl]-5-methoxy-2-oxopyridin-1-yl]hexanoic acid

Drug info:

PubChemData

Smile

COCCC(C(=O)NC1=CC(=C(C=C1)C(=O)N)F)N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C4=NN=C(O4)C(F)(F)F)OC

DOS

IR

Vibrations