Geometry & MOs

Info

ID:

297597

PubChem CID:

117622849

Reduced:

ClF2N2O4H21C23 (1)

Stoich.:

AB2C2D4E21F23 (1)

Weight, g/mol:

629.190433

ΔHf, kcal/mol:

-174.81

Dipole, Da:

6.91

IP(EA), eV:

 -8.84(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

tert-butyl 4-[[2-[4-(5-chloro-2-cyanophenyl)-5-methoxy-2-oxopyridin-1-yl]-3-[1-(trifluoromethyl)cyclobutyl]propanoyl]amino]benzoate

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C(=C\C1CC1(F)F)/N2C=C(C(=CC2=O)C3=C(C=CC(=C3)Cl)C#N)OC

DOS

IR

Vibrations