Geometry & MOs

Info

ID:

334036

PubChem CID:

127252588

Reduced:

ClNO10H30C31 (1)

Stoich.:

ABC10D30E31 (1)

Weight, g/mol:

672.298156

ΔHf, kcal/mol:

-346.97

Dipole, Da:

7.23

IP(EA), eV:

 -8.78(-0.9)

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-[2-(1-methylindol-3-yl)ethyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC2=C(C(C(=C(N2)C)C(=O)OC)C3=CC(=CC=C3)OCC(=O)OC)C(=O)[C@]14C(=O)C5=C(O4)C(=C(C=C5OC)OC)Cl

DOS

IR

Vibrations