Geometry & MOs

Info

ID:	124971
PubChem CID:	50905742
Reduced:	BrN2O2C28H32 (1)
Stoich.:	AB2C2D28E32 (1)
Weight, g/mol:	342.057134
ΔH_f, kcal/mol:	18.08
Dipole, Da:	6.36
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.751439
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-(4-chlorophenyl)methylideneamino]-5-(2-fluorophenyl)furan-2-carboxamide

Drug info:

PubChemData

Smile

C[N+]1(CCC(C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCCOC4=CC=CC=C4Br

DOS

IR

Vibrations