Geometry & MOs

Info

ID:	131668
PubChem CID:	51240284
Reduced:	N3O5C19H19 (1)
Stoich.:	A3B5C19D19 (1)
Weight, g/mol:	389.115775
ΔH_f, kcal/mol:	-87.19
Dipole, Da:	13.14
IP(EA), eV:	-9.01(-1.12)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4-oxo-N'-[3-(2-oxo-1,3-thiazolidin-3-yl)propanoyl]phthalazine-1-carbohydrazide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)N3CCCCC3=O

DOS

IR

Vibrations