Geometry & MOs

Info

ID:

215407

PubChem CID:

85084689

Reduced:

O8C23H38 (2)

Stoich.:

A8B23C38 (2)

Weight, g/mol:

886.39333

ΔHf, kcal/mol:

-801.82

Dipole, Da:

4.01

IP(EA), eV:

 -9.47(0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[1-[2-[[2-[[2-[[2-[[4-amino-2-[(2,5-diamino-5-oxopentanoyl)amino]-4-oxobutanoyl]amino]acetyl]amino]-3-(1H-imidazol-5-yl)propanoyl]amino]-3-hydroxypropanoyl]amino]-3-phenylpropanoyl]pyrrolidine-2-carbonyl]amino]-3-hydroxybutanoic acid

Drug info:

PubChemData

Smile

CC(=CCCC(C)(C1CCC2(C1C(CC3C2(CC(C4C3(CCC(C4(C)C)O)C)OC5C(C(C(C(O5)COC(=O)C)O)O)O)C)O)C)OC6C(C(C(C(O6)COC(=O)C)O)O)O)C

DOS

IR

Vibrations