Geometry & MOs

Info

ID:	178573
PubChem CID:	76351151
Reduced:	SN2O5C20H26 (1)
Stoich.:	AB2C5D20E26 (1)
Weight, g/mol:	423.166845
ΔH_f, kcal/mol:	-175.82
Dipole, Da:	5.16
IP(EA), eV:	-8.85(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

methyl 1-[1-[3-(1,4-dioxophthalazin-2-ium-2-yl)propanoyl]piperidin-4-yl]pyrrole-2-carboxylate

Drug info:

PubChemData

Smile

C1CCN(CC1)C2CS(=O)(=O)CC2NC(=O)C=CC3=CC4=C(C=C3)OCCO4

DOS

IR

Vibrations