Geometry & MOs

Info

ID:	397753
PubChem CID:	135030673
Reduced:	NF2O3C22H23 (1)
Stoich.:	AB2C3D22E23 (1)
Weight, g/mol:	367.089911
ΔH_f, kcal/mol:	-182.13
Dipole, Da:	1.24
IP(EA), eV:	-9.18(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(5-anilino-4,4-difluoro-5-oxopentyl)-2-chloropyridine-3-carboxamide

Drug info:

PubChemData

Smile

C1C(C1C(=O)OCCCCC(C(=O)NC2=CC=CC=C2)(F)F)C3=CC=CC=C3

DOS

IR

Vibrations