Geometry & MOs

Info

ID:

223211

PubChem CID:

85334691

Reduced:

N18O21C53H92 (1)

Stoich.:

A18B21C53D92 (1)

Weight, g/mol:

1318.713267

ΔHf, kcal/mol:

-1014.23

Dipole, Da:

29.34

IP(EA), eV:

 -9.61(-1.1)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

5-[[1-[[1-[[5-amino-1-[[1-[[1-[2-[[6-amino-1-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-1-oxohexan-2-yl]carbamoyl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1,5-dioxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-4-[(2-amino-3-methylbutanoyl)amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCC(C)C(C(=O)NC(C)C(=O)NC(CO)C(=O)NC(CC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(CCC(=O)O)C(=O)NC(C)C(=O)NC(CCCN=C(N)N)C(=O)NC(CCCN=C(N)N)C(=O)NCC(=O)NC(CC(C)C)C(=O)O)NC(=O)C(C(C)O)N

DOS

IR

Vibrations