Geometry & MOs

Info

ID:

334123

PubChem CID:

127252675

Reduced:

O7H16C22 (1)

Stoich.:

A7B16C22 (1)

Weight, g/mol:

701.324705

ΔHf, kcal/mol:

-210.88

Dipole, Da:

2.98

IP(EA), eV:

 -8.22(-0.62)

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-[5-(1H-benzimidazol-2-yl)pentyl]-4-methylsulfanylbutanamide

Drug info:

PubChemData

Smile

CC1=CC(=C(C(=O)O1)C2=C(OC3=C2C(=O)OC(=C3)C)C4=CC5=C(C=C4)OCC5)O

DOS

IR

Vibrations