Geometry & MOs

Info

ID:

222988

PubChem CID:

85333680

Reduced:

NO7C20H32 (2)

Stoich.:

AB7C20D32 (2)

Weight, g/mol:

799.480354

ΔHf, kcal/mol:

-635.32

Dipole, Da:

4.24

IP(EA), eV:

 -8.9(0.13)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-amino-2-[[2-[[2-[[2-[[2-[[2-[[2-[(2-aminoacetyl)amino]-4-methylpentanoyl]amino]-4-methylpentanoyl]amino]acetyl]amino]-3-hydroxybutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoyl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC1C(C2C(N(CC(CC(C(C(C(C(C(=O)O1)C)OC(=O)C(C3=CC=CC=C3)OCOC)C)OC4C(C(CC(O4)C)N(C)C)O)(C)O)C)C)OC(=O)O2)(C)O

DOS

IR

Vibrations