Geometry & MOs

Info

ID:	165071
PubChem CID:	74494538
Reduced:	SO2N3C22H28 (1)
Stoich.:	AB2C3D22E28 (1)
Weight, g/mol:	505.8577
ΔH_f, kcal/mol:	-19.07
Dipole, Da:	14.21
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.758165
Charge, e:	-1

Chem-info

IUPAC name:

2-bromo-6-[[[2-(2-bromo-4-chlorophenoxy)acetyl]hydrazinylidene]methyl]-4-nitrophenolate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C[NH+]2CCC(CC2)C3(C(=O)N(C(=O)N3)CC4=CSC=C4)C

DOS

IR

Vibrations