Geometry & MOs

Info

ID:	64997
PubChem CID:	29204313
Reduced:	Cl3O3N5H16C19 (1)
Stoich.:	A3B3C5D16E19 (1)
Weight, g/mol:	422.994424
ΔH_f, kcal/mol:	19.54
Dipole, Da:	7.0
IP(EA), eV:	-9.63(-1.17)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[4-[(2,4,6-trichloroanilino)carbamoyl]phenyl]furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CC2=CC=C(C=C2)C(=O)NNC3=C(C=C(C=C3Cl)Cl)Cl)C)[N+](=O)[O-]

DOS

IR

Vibrations