Geometry & MOs

Info

ID:	124579
PubChem CID:	50888113
Reduced:	ClN5O9H22C29 (1)
Stoich.:	AB5C9D22E29 (1)
Weight, g/mol:	407.94318
ΔH_f, kcal/mol:	-168.84
Dipole, Da:	6.26
IP(EA), eV:	-9.36(-2.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(E)-[5-(2-bromophenyl)furan-2-yl]methylideneamino]-2,3-dichloroaniline

Drug info:

PubChemData

Smile

CC1=C(C(=O)N(N1)C2=CC=CC(=C2)C(=O)O)C(C3=C(C(=CC(=C3)Cl)[N+](=O)[O-])O)C4=C(NN(C4=O)C5=CC=CC(=C5)C(=O)O)C

DOS

IR

Vibrations