Geometry & MOs

Info

ID:

334694

PubChem CID:

127253369

Reduced:

ClNO9H24C26 (1)

Stoich.:

ABC9D24E26 (1)

Weight, g/mol:

673.336315

ΔHf, kcal/mol:

-306.8

Dipole, Da:

2.17

IP(EA), eV:

 -8.99(-1.67)

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-(5,6-dimethoxy-2,3-dihydro-1H-inden-1-yl)-3-methylpentanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=C(C=CC(=C4)C(=O)OC)C(=O)OC

DOS

IR

Vibrations