Geometry & MOs

Info

ID:

215769

PubChem CID:

85085232

Reduced:

N5O33C71H113 (1)

Stoich.:

A5B33C71D113 (1)

Weight, g/mol:

1587.879998

ΔHf, kcal/mol:

-1465.21

Dipole, Da:

9.14

IP(EA), eV:

 -9.56(-0.82)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-[[1-[16-[[1-[[1-[[1-[[4-amino-1-[(1-carboxy-2-phenylethyl)amino]-1,4-dioxobutan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-hydroxy-1-oxopropan-2-yl]amino]-16-oxohexadecanoyl]pyrrolidine-2-carbonyl]amino]-5-[[1-[[1-[[1-[[1-carboxy-2-(1H-indol-3-yl)ethyl]amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-3-methyl-1-oxopentan-2-yl]amino]-5-oxopentanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCC(=O)NC(COC1C(C(C(C(O1)CO)OC2C(C(C(C(O2)CO)OC3C(C(C(C(O3)CO)O)OC4C(C(C(C(O4)CO)O)O)O)NC(=O)C)OC5(CC(C(C(O5)C(C(CO)O)O)NC(=O)C)O)C(=O)O)O)O)O)C(C=CC6=CC=C(C=C6)C(=O)NC7=NOC(=C7)C)O

DOS

IR

Vibrations