Geometry & MOs

Info

ID:

193423

PubChem CID:

78392522

Reduced:

N10O17C50H70 (1)

Stoich.:

A10B17C50D70 (1)

Weight, g/mol:

995.460012

ΔHf, kcal/mol:

-763.22

Dipole, Da:

7.7

IP(EA), eV:

 -9.09(-0.21)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetamido-4-[[3-hydroxy-1-[[3-hydroxy-1-[2-[[1-[[1-[[1-[[1-[[1-(4-hydroxyphenyl)-3-oxobutan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxo-3-phenylpropan-2-yl]amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]carbamoyl]pyrrolidin-1-yl]-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

CC(C(C(=O)NC(C(C)O)C(=O)N1CCCC1C(=O)NC(C)C(=O)NC(C)C(=O)NC(CC2=CC=CC=C2)C(=O)NC(C)C(=O)NC(CC3=CC=C(C=C3)O)C(=O)C)NC(=O)C(CC(=O)O)NC(=O)C(CO)NC(=O)C)O

DOS

IR

Vibrations