Geometry & MOs

Info

ID:

132307

PubChem CID:

51341280

Reduced:

ClSN4O7C55H57 (1)

Stoich.:

ABC4D7E55F57 (1)

Weight, g/mol:

938.347999

ΔHf, kcal/mol:

-188.65

Dipole, Da:

12.54

IP(EA), eV:

 -8.69(-0.41)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[(2-chlorophenyl)-(4-methylphenyl)-phenylmethyl] (2S)-5-[[amino-[(2,2,4,6,7-pentamethyl-3H-1-benzofuran-5-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoate

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3Cl)OC(=O)[C@H](CCCN=C(N)NS(=O)(=O)C4=C(C5=C(C(=C4C)C)OC(CC5)(C)C)C)NC(=O)OCC6C7=CC=CC=C7C8=CC=CC=C68

DOS

IR

Vibrations