Geometry & MOs

Info

ID:

334843

PubChem CID:

127253649

Reduced:

NO3C9H11 (2)

Stoich.:

AB3C9D11 (2)

Weight, g/mol:

631.289365

ΔHf, kcal/mol:

-216.15

Dipole, Da:

6.03

IP(EA), eV:

 -8.78(-0.4)

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-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

CN1CCC2=C(C3=C(C(=C2C1=O)OC)OCO3)CNC(=O)C4CCCO4

DOS

IR

Vibrations