Geometry & MOs

Info

ID:	309314
PubChem CID:	126544466
Reduced:	F3O3N4C25H25 (1)
Stoich.:	A3B3C4D25E25 (1)
Weight, g/mol:	442.125275
ΔH_f, kcal/mol:	-181.33
Dipole, Da:	3.14
IP(EA), eV:	-9.23(-1.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[[4-[[(2,2-difluoroacetyl)amino]carbamoyl]-2-fluorophenyl]methyl]-N-phenylpyridine-4-carboxamide

Drug info:

PubChemData

Smile

CCC(=O)N1CCC(CC1)C(=O)N(CC2=C(C=C(C=C2)C3=NN=C(O3)C(F)F)F)C4=CC=CC=C4

DOS

IR

Vibrations