Geometry & MOs

Info

ID:

334199

PubChem CID:

127252751

Reduced:

NO9H25C28 (1)

Stoich.:

AB9C25D28 (1)

Weight, g/mol:

728.287986

ΔHf, kcal/mol:

-271.76

Dipole, Da:

3.78

IP(EA), eV:

 -8.68(-1.47)

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-[4-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1,3-thiazol-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

COC(=O)CC(C1=CC=C(O1)C2=CC=C(C=C2)C(=O)O)C3=C(C=CC4=C3O/C(=C\N5CCOCC5)/C4=O)O

DOS

IR

Vibrations