Geometry & MOs

Info

ID:

178997

PubChem CID:

76415730

Reduced:

FN8O15C46H63 (1)

Stoich.:

AB8C15D46E63 (1)

Weight, g/mol:

1117.453483

ΔHf, kcal/mol:

-740.6

Dipole, Da:

4.57

IP(EA), eV:

 -9.52(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NC(CC1=CC=C(C=C1)F)C(=O)NC(CC(=O)O)C(=O)NC(C)C(=O)NC(CCC(=O)O)C(=O)NC(CC2=CC=CC=C2)C(=O)O)NC(=O)C(C(C)C)NC(=O)C(CCC(=O)O)N

DOS

IR

Vibrations