Geometry & MOs

Info

ID:

334312

PubChem CID:

127252864

Reduced:

ClNO7H24C31 (1)

Stoich.:

ABC7D24E31 (1)

Weight, g/mol:

595.21007

ΔHf, kcal/mol:

-174.35

Dipole, Da:

7.87

IP(EA), eV:

 -8.75(-1.34)

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-[4-(2-amino-2-oxoethyl)-1,3-thiazol-2-yl]propanamide

Drug info:

PubChemData

Smile

C[C@@H]1CC(=CC(=O)[C@]12C(=O)C3=C(O2)C(=C(C=C3OC)OC)Cl)NC4=CC=C(C=C4)C5=CC6=CC=CC=C6OC5=O

DOS

IR

Vibrations