Geometry & MOs

Info

ID:

164176

PubChem CID:

74382196

Reduced:

NO9C49H97 (1)

Stoich.:

AB9C49D97 (1)

Weight, g/mol:

1210.624727

ΔHf, kcal/mol:

-611.35

Dipole, Da:

5.91

IP(EA), eV:

 -10.23(0.26)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-acetamido-3-(4-hydroxyphenyl)propanoyl]-N-[3-amino-1-[[1-[[1-[2-[[1-[[1-[[1-amino-3-(1H-indol-3-yl)-1-oxopropan-2-yl]amino]-5-[(N'-methylcarbamimidoyl)amino]-1-oxopentan-2-yl]amino]-4-methyl-1-oxopentan-2-yl]carbamoyl]hydrazinyl]-1-oxo-3-phenylpropan-2-yl]amino]-3-hydroxy-1-oxobutan-2-yl]amino]-1-oxobutan-2-yl]-4-hydroxypyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCCCCCCCCC(C(=O)NC(COC1CC(C(C(C1O)O)O)CO)C(C(CCCCCCCCCCCC(C)C)O)O)O

DOS

IR

Vibrations