Geometry & MOs

Info

ID:

223249

PubChem CID:

85334747

Reduced:

SN15O24C55H83 (1)

Stoich.:

AB15C24D55E83 (1)

Weight, g/mol:

1374.582706

ΔHf, kcal/mol:

-1106.16

Dipole, Da:

8.24

IP(EA), eV:

 -9.35(-0.39)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[[1-[2-[[1-[2-[[1-[2-[[1-[2-[[1-(2-amino-4-carboxybutanoyl)pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carbonyl]amino]-4-carboxybutanoyl]pyrrolidine-2-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC(=O)N)C(=O)N1CCCC1C(=O)NC(CC(=O)O)C(=O)NC(CS)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CC(C)C)C(=O)NC(C)C(=O)NC(CC(=O)O)C(=O)NC(CC2=CN=CN2)C(=O)O)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations