Geometry & MOs

Info

ID:	62895
PubChem CID:	26737519
Reduced:	ClSN2O4H23C28 (1)
Stoich.:	ABC2D4E23F28 (1)
Weight, g/mol:	471.211784
ΔH_f, kcal/mol:	-68.84
Dipole, Da:	4.57
IP(EA), eV:	-8.54(-1.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-ethoxy-4-methoxy-2-nitro-N'-[3-(4-phenylpiperazin-1-yl)propanoyl]benzohydrazide

Drug info:

PubChemData

Smile

CCOC(=O)C1=C(N=C2N([C@H]1C3=C(C=CC4=CC=CC=C43)OC)C(=O)/C(=C/C5=CC=CC=C5Cl)/S2)C

DOS

IR

Vibrations