Geometry & MOs

Info

ID:

173248

PubChem CID:

75611635

Reduced:

SO3N4H18C23 (1)

Stoich.:

AB3C4D18E23 (1)

Weight, g/mol:

584.322337

ΔHf, kcal/mol:

30.3

Dipole, Da:

4.4

IP(EA), eV:

 -8.61(-1.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[(4-methylphenyl)-(1,3,5-triazatricyclo[3.3.1.13,7]decan-7-yl)methylidene]hydrazinyl]-2-oxo-1-(4-oxo-2,3,4a,5,6,7,8,8a-octahydro-1H-phthalazin-1-yl)ethyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C2C=C(C=CC2=C1)NC(=O)CSC3=CC=C(O3)C=NNC(=O)C4=CC=NC=C4

DOS

IR

Vibrations