Geometry & MOs

Info

ID:

223068

PubChem CID:

85334458

Reduced:

N12O16C53H78 (1)

Stoich.:

A12B16C53D78 (1)

Weight, g/mol:

1139.64379

ΔHf, kcal/mol:

-734.54

Dipole, Da:

4.94

IP(EA), eV:

 -8.41(-0.03)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-amino-5-[[1-[[1-[2-[[1-[[1-[[1-[[1-[[1-[(3-amino-1-carboxy-3-oxopropyl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]carbamoyl]pyrrolidin-1-yl]-4-carboxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(CC1=CC=C(C=C1)O)C(=O)N2CCCC2C(=O)NC(CC(C)C)C(=O)NC(C(C)O)C(=O)O)NC(=O)C(CC(=O)N)NC(=O)C(CC3=CC=C(C=C3)O)NC(=O)C(CCC(=O)N)NC(=O)C(CCC(=O)N)N

DOS

IR

Vibrations