Geometry & MOs

Info

ID:

334933

PubChem CID:

127253739

Reduced:

N3O4C28H35 (1)

Stoich.:

A3B4C28D35 (1)

Weight, g/mol:

665.296182

ΔHf, kcal/mol:

-72.48

Dipole, Da:

3.53

IP(EA), eV:

 -8.25(0.09)

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-[5-[2-(1H-indol-3-yl)ethyl]-1H-1,2,4-triazol-3-yl]propanamide

Drug info:

PubChemData

Smile

C1CCN2CC3C[C@@H](C2C1)C=C4C3N(CCC4)C(=O)C5CC(=O)N(C5)C6=CC7=C(C=C6)OCCO7

DOS

IR

Vibrations