Geometry & MOs

Info

ID:	318398
PubChem CID:	126651115
Reduced:	ClNO2F3H9C15 (1)
Stoich.:	ABC2D3E9F15 (1)
Weight, g/mol:	625.160276
ΔH_f, kcal/mol:	-186.16
Dipole, Da:	3.75
IP(EA), eV:	-9.26(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[2-[4-[5-chloro-2-(2,2,2-trifluoroethoxy)phenyl]-5-methoxy-2-oxo-1H-pyridin-3-yl]-3-[(2R)-oxan-2-yl]propanoyl]amino]-2-fluorobenzamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1Cl)C2=C(C=CC(=C2)C#N)OC(F)(F)F)O

DOS

IR

Vibrations