Geometry & MOs

Info

ID:

334752

PubChem CID:

127253427

Reduced:

ClN4O6C27H27 (1)

Stoich.:

AB4C6D27E27 (1)

Weight, g/mol:

535.243084

ΔHf, kcal/mol:

-130.2

Dipole, Da:

4.97

IP(EA), eV:

 -8.79(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-(1H-pyrazol-5-yl)butanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC(C4=CC=CC=C4)C5=NNC(=N5)COC

DOS

IR

Vibrations