Geometry & MOs

Info

ID:	66064
PubChem CID:	46490937
Reduced:	SO2N3C21H21 (1)
Stoich.:	AB2C3D21E21 (1)
Weight, g/mol:	460.01893
ΔH_f, kcal/mol:	7.33
Dipole, Da:	3.84
IP(EA), eV:	-8.88(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-bromo-N-[2-[1-(3-chlorophenyl)ethylcarbamoyl]phenyl]-N-methylfuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NC(=CS1)COC2=CC=C(C=C2)/C=C/C(=O)NC(C)C3=CC=CC=N3

DOS

IR

Vibrations