Geometry & MOs

Info

ID:

223219

PubChem CID:

85334702

Reduced:

SN16O20C55H88 (1)

Stoich.:

AB16C20D55E88 (1)

Weight, g/mol:

1324.687446

ΔHf, kcal/mol:

-911.62

Dipole, Da:

2.68

IP(EA), eV:

 -9.42(-0.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[[1-[[6-amino-1-[[1-[[1-[2-[[4-amino-1-[2-[[4-carboxy-1-[(1-carboxy-2-hydroxyethyl)amino]-1-oxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-1,4-dioxobutan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxohexan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-1-oxopropan-2-yl]amino]-3-methyl-1-oxobutan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NCC(=O)N1CCCC1C(=O)NC(CCCCN)C(=O)NC(CCC(=O)N)C(=O)NC(CC(=O)O)C(=O)NC(CO)C(=O)NC(CS)C(=O)NC(CC2=CC=CC=C2)C(=O)NCC(=O)O)NC(=O)C(C)NC(=O)C(CCCCN)NC(=O)C(CO)N)O

DOS

IR

Vibrations