Geometry & MOs

Info

ID:

334239

PubChem CID:

127252791

Reduced:

N3O4C21H23 (1)

Stoich.:

A3B4C21D23 (1)

Weight, g/mol:

673.293405

ΔHf, kcal/mol:

-121.05

Dipole, Da:

5.66

IP(EA), eV:

 -8.62(-0.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(7S)-7-acetamido-1,2,3-trimethoxy-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-10-yl]amino]-N-[(1S)-1-(1-methylbenzimidazol-2-yl)-3-methylsulfanylpropyl]propanamide

Drug info:

PubChemData

Smile

C1[C@@H]2CN(C[C@H]1C3=CC=CC(=O)N3C2)C(=O)NCC4COC5=CC=CC=C5O4

DOS

IR

Vibrations