Geometry & MOs

Info

ID:	165478
PubChem CID:	74554674
Reduced:	N2O3C15H23 (1)
Stoich.:	A2B3C15D23 (1)
Weight, g/mol:	416.9657
ΔH_f, kcal/mol:	-119.8
Dipole, Da:	3.45
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.755757
Charge, e:	-1

Chem-info

IUPAC name:

2-[[[4-(4-bromophenyl)-1,3-thiazol-2-yl]hydrazinylidene]methyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC1C=C(CC(C1C(=O)[O-])C(=O)N2CCN(CC2)C)C

DOS

IR

Vibrations