Geometry & MOs

Info

ID:

334626

PubChem CID:

127253301

Reduced:

ClNO7C22H28 (1)

Stoich.:

ABC7D22E28 (1)

Weight, g/mol:

713.324705

ΔHf, kcal/mol:

-276.15

Dipole, Da:

3.93

IP(EA), eV:

 -8.97(-0.58)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(7S)-1,2,3-trimethoxy-10-[[(2S)-1-[2-(1-methylbenzimidazol-2-yl)piperidin-1-yl]-4-methylsulfanyl-1-oxobutan-2-yl]amino]-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]acetamide

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations