Geometry & MOs

Info

ID:

334897

PubChem CID:

127253703

Reduced:

NO2H9C12 (2)

Stoich.:

AB2C9D12 (2)

Weight, g/mol:

669.316249

ΔHf, kcal/mol:

-41.56

Dipole, Da:

4.33

IP(EA), eV:

 -8.3(-1.43)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S,3R)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

COC1=C(C2=C(C=C1)C3=C(C4=CC=CC=C4C3=O)N(C2=O)CC5=CC=CC=N5)OC

DOS

IR

Vibrations