Geometry & MOs

Info

ID:

222827

PubChem CID:

85332655

Reduced:

BN4O6C29H37 (1)

Stoich.:

AB4C6D29E37 (1)

Weight, g/mol:

548.172956

ΔHf, kcal/mol:

-251.19

Dipole, Da:

3.45

IP(EA), eV:

 -9.18(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[[5-[2-[(5-oxo-1-prop-2-enyl-7,8-dihydro-6H-naphthalen-2-yl)oxy]ethylcarbamoyl]pyridin-2-yl]hydrazinylidene]methyl]benzenesulfonic acid

Drug info:

PubChemData

Smile

B1(OC2C3CC(C3(C)C)CC2(O1)C)C(CC)NC(=O)C4CCC5=NC=C(C(=O)N45)NC(=O)OCC6=CC=CC=C6

DOS

IR

Vibrations