Geometry & MOs

Info

ID:

334601

PubChem CID:

127253276

Reduced:

SO3N5H17C21 (1)

Stoich.:

AB3C5D17E21 (1)

Weight, g/mol:

591.305684

ΔHf, kcal/mol:

-2.37

Dipole, Da:

6.55

IP(EA), eV:

 -9.13(-1.35)

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-(2-imidazol-1-ylethyl)-3-methylpentanamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C3N(C(=O)C4=CC=CC=C4N3C2=O)CCCC(=O)NC5=NN=CS5

DOS

IR

Vibrations