Geometry & MOs

Info

ID:	49374
PubChem CID:	11532936
Reduced:	ClSO2N5C23H26 (1)
Stoich.:	ABC2D5E23F26 (1)
Weight, g/mol:	471.95328
ΔH_f, kcal/mol:	29.25
Dipole, Da:	2.45
IP(EA), eV:	-8.74(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N-[(Z)-[(2E)-2-[(2-bromo-4-fluorophenyl)hydrazinylidene]cyclopentylidene]amino]-4-fluoroaniline

Drug info:

PubChemData

Smile

CN1CCN=C1C2=CC(=C(C=C2)C3=NOC(C3)CNC(=O)C4=CC=C(S4)Cl)N5CCCC5

DOS

IR

Vibrations