Geometry & MOs

Info

ID:	436563
PubChem CID:	135205436
Reduced:	ClFN2O3C12H16 (1)
Stoich.:	ABC2D3E12F16 (1)
Weight, g/mol:	616.14488
ΔH_f, kcal/mol:	-173.43
Dipole, Da:	2.49
IP(EA), eV:	-9.44(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[4-[5-chloro-2-[5-(trifluoromethyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-methoxy-2-oxopyridin-1-yl]-4-methoxy-N-(2-methylindazol-5-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H](CNC(=O)O)OC1=C(C=C(C=C1)F)C(=N)C.Cl

DOS

IR

Vibrations