Geometry & MOs

Info

ID:

334184

PubChem CID:

127252736

Reduced:

NO4H21C26 (1)

Stoich.:

AB4C21D26 (1)

Weight, g/mol:

577.290034

ΔHf, kcal/mol:

-62.94

Dipole, Da:

3.47

IP(EA), eV:

 -8.49(-1.52)

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]-3-methyl-N-(1-methylpyrazol-4-yl)pentanamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)CCN2C3=C(C4=CC=CC=C4C2=O)C(=O)C5=CC=CC=C53)OC

DOS

IR

Vibrations