Geometry & MOs

Info

ID:

333972

PubChem CID:

127252524

Reduced:

N3O3C24H29 (1)

Stoich.:

A3B3C24D29 (1)

Weight, g/mol:

745.233697

ΔHf, kcal/mol:

-29.09

Dipole, Da:

3.34

IP(EA), eV:

 -8.29(-0.68)

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-(6-chloro-2-oxo-1,3-dihydroindol-5-yl)-1,3-thiazol-2-yl]-3-methylpentanamide

Drug info:

PubChemData

Smile

C1CCN2C[C@@H]3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)C5=CC6=C(C=C5)OCC(=O)N6

DOS

IR

Vibrations