Geometry & MOs

Info

ID:	83929
PubChem CID:	49862596
Reduced:	ClOF2N2H7C14 (1)
Stoich.:	ABC2D2E7F14 (1)
Weight, g/mol:	491.253255
ΔH_f, kcal/mol:	-59.3
Dipole, Da:	5.08
IP(EA), eV:	-9.44(-1.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[3-[3-tert-butyl-5-(phenylcarbamoylamino)pyrazol-1-yl]phenyl]methylamino]-2,2-dimethyl-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C1=CC(=C(C=C1NC(=O)C2=CC(=CC(=C2)C#N)F)Cl)F

DOS

IR

Vibrations