Geometry & MOs

Info

ID:	79540
PubChem CID:	49826114
Reduced:	SO2N3C24H28 (1)
Stoich.:	AB2C3D24E28 (1)
Weight, g/mol:	391.01677
ΔH_f, kcal/mol:	19.79
Dipole, Da:	5.84
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.754799
Charge, e:	0

Chem-info

IUPAC name:

4-bromo-N'-[1-(4-methoxy-3-nitrophenyl)ethenyl]benzohydrazide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)CC[NH2+]CC(COC3=CC=CC=C3)O

DOS

IR

Vibrations