Geometry & MOs

Info

ID:	68833
PubChem CID:	46509187
Reduced:	FOSN6H21C25 (1)
Stoich.:	ABCD6E21F25 (1)
Weight, g/mol:	382.132885
ΔH_f, kcal/mol:	65.74
Dipole, Da:	6.17
IP(EA), eV:	-8.93(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[3-(3-fluoro-4-methoxyphenyl)propanoylamino]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

C1CC(CN(C1)C(=O)C2=NN(C(=N2)C3=CC=CS3)C4=CC=C(C=C4)F)C5=NC6=CC=CC=C6N5

DOS

IR

Vibrations