Geometry & MOs

Info

ID:	145749
PubChem CID:	53587298
Reduced:	O2F3N3C16H18 (1)
Stoich.:	A2B3C3D16E18 (1)
Weight, g/mol:	349.062947
ΔH_f, kcal/mol:	-190.7
Dipole, Da:	2.45
IP(EA), eV:	-9.83(-0.64)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[[(2-chloro-6-fluorophenyl)-cyanomethyl]amino]-3-oxopropyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NO1)C)CNC(=O)NCCC2=CC=CC=C2C(F)(F)F

DOS

IR

Vibrations