Geometry & MOs

Info

ID:

193070

PubChem CID:

78337845

Reduced:

SO3N7H21C22 (1)

Stoich.:

AB3C7D21E22 (1)

Weight, g/mol:

617.16377

ΔHf, kcal/mol:

17.18

Dipole, Da:

4.55

IP(EA), eV:

 -8.73(-0.94)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[2-[2-[[2-[(4-bromophenyl)methoxy]phenyl]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

CN1C(=O)C(C(N(C1=O)CC2=CC=CC=C2)N)C(=O)CSC3=NNC4=NC5=CC=CC=C5N43

DOS

IR

Vibrations