Geometry & MOs

Info

ID:

335165

PubChem CID:

127254026

Reduced:

ClSN3O6H20C21 (1)

Stoich.:

ABC3D6E20F21 (1)

Weight, g/mol:

673.311163

ΔHf, kcal/mol:

-168.15

Dipole, Da:

4.89

IP(EA), eV:

 -9.11(-0.88)

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

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NCC(=O)NC4=NC=CS4

DOS

IR

Vibrations