Geometry & MOs

Info

ID:	196915
PubChem CID:	78895346
Reduced:	ClON4C22H23 (1)
Stoich.:	ABC4D22E23 (1)
Weight, g/mol:	446.99853
ΔH_f, kcal/mol:	39.45
Dipole, Da:	4.04
IP(EA), eV:	-9.17(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[3-[(6-chloropyridin-3-yl)methyl-methylcarbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CN(CC1=CN=C(C=C1)Cl)C(=O)C2=NN(C3=C2CCCCC3)C4=CC=CC=C4

DOS

IR

Vibrations