Geometry & MOs

Info

ID:

334146

PubChem CID:

127252698

Reduced:

NO6C36H45 (1)

Stoich.:

AB6C36D45 (1)

Weight, g/mol:

659.295513

ΔHf, kcal/mol:

-236.44

Dipole, Da:

4.49

IP(EA), eV:

 -8.74(-0.36)

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-[2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=C(O1)C(CC(=O)NCC2(CCCC3(C2CCC4=C3C=CC(=C4)C(C)C)C)C)C5=CC(=C(C=C5)O)OC)O

DOS

IR

Vibrations