Geometry & MOs

Info

ID:

176703

PubChem CID:

76084427

Reduced:

N3O8C47H83 (1)

Stoich.:

A3B8C47D83 (1)

Weight, g/mol:

777.467664

ΔHf, kcal/mol:

-477.37

Dipole, Da:

3.27

IP(EA), eV:

 -9.78(-0.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3-[2-[acetyl-(2-amino-3-phenylpropanoyl)amino]-1-[[1-cyclohexyl-3-hydroxy-5-(2-methylpropylamino)-5-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]-2,3-dihydro-1-benzofuran-5-yl]methylamino]acetic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)N(CCCCCCCCCCCC)C1C(C(C(C(O1)CO)O)O)NC(=O)C(C)NC(=O)OCC2=CC=CC=C2

DOS

IR

Vibrations