Geometry & MOs

Info

ID:

334299

PubChem CID:

127252851

Reduced:

NO3C12H15 (2)

Stoich.:

AB3C12D15 (2)

Weight, g/mol:

637.25702

ΔHf, kcal/mol:

-267.55

Dipole, Da:

3.54

IP(EA), eV:

 -9.26(-0.59)

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

Drug info:

PubChemData

Smile

CC1(CC(=O)C2=C(C=C(C=C2O1)OCC(=O)N3CC4CC(C3)C5CCCC(=O)N5C4)O)C

DOS

IR

Vibrations