Geometry & MOs

Info

ID:

173364

PubChem CID:

75628611

Reduced:

ClSN5O8C21H30 (1)

Stoich.:

ABC5D8E21F30 (1)

Weight, g/mol:

1121.590316

ΔHf, kcal/mol:

-370.33

Dipole, Da:

7.32

IP(EA), eV:

 -9.56(-0.62)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

6-amino-2-[[2-[[2-[[2-[[2-[[1-[2-[[6-amino-2-[[2-[(2,4-diamino-4-oxobutanoyl)amino]-3-hydroxybutanoyl]amino]hexanoyl]amino]-3-hydroxypropanoyl]pyrrolidine-2-carbonyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylsulfanylbutanoyl]amino]acetyl]amino]hexanoic acid

Drug info:

PubChemData

Smile

CC1(C(N2C(S1)C(C2=O)NC(=O)C(C3=CC=C(C=C3)O)NC(=O)C(CC(=O)NC)N)C(=O)O)C.O.Cl

DOS

IR

Vibrations