Geometry & MOs

Info

ID:

224140

PubChem CID:

85338639

Reduced:

N5O6C41H49 (1)

Stoich.:

A5B6C41D49 (1)

Weight, g/mol:

710.206701

ΔHf, kcal/mol:

-208.84

Dipole, Da:

8.88

IP(EA), eV:

 -9.27(-0.27)

Spin(Sz, S2):

 None, None

Charge, e:

 2

Chem-info

IUPAC name:

copper;2-[[5-amino-2-[[1-[2-[[2-[(2-amino-3-sulfanylpropanoyl)amino]-3-methylbutanoyl]amino]-3-methylbutanoyl]pyrrolidine-2-carbonyl]amino]-5-oxopentanoyl]amino]-3-sulfanylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=CC=C1)C(=O)N)NC(=O)N(CC2=CC=CC=C2)CC(C(CC3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4)O

DOS

IR

Vibrations