Geometry & MOs

Info

ID:

334260

PubChem CID:

127252812

Reduced:

N2O7H20C21 (1)

Stoich.:

A2B7C20D21 (1)

Weight, g/mol:

683.368284

ΔHf, kcal/mol:

-203.46

Dipole, Da:

4.44

IP(EA), eV:

 -8.87(-0.61)

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-[(1S,2S)-1-(1H-benzimidazol-2-yl)-2-methylbutyl]-3-methylpentanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4=CC5=C(C=C4)OCO5

DOS

IR

Vibrations