Geometry & MOs

Info

ID:	343287
PubChem CID:	127266460
Reduced:	SN5O6C24H27 (1)
Stoich.:	AB5C6D24E27 (1)
Weight, g/mol:	417.04767
ΔH_f, kcal/mol:	-71.87
Dipole, Da:	11.99
IP(EA), eV:	-8.29(-1.49)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-bromo-N'-[(E)-(2-phenylindol-3-ylidene)methyl]benzohydrazide

Drug info:

PubChemData

Smile

CCN(CC)C1=CC(=O)/C(=C\NNC2=C(C=C(C=C2)S(=O)(=O)NC3=CC=C(C=C3)OC)[N+](=O)[O-])/C=C1

DOS

IR

Vibrations