Geometry & MOs

Info

ID:

164043

PubChem CID:

74381617

Reduced:

O4N5C31H41 (2)

Stoich.:

A4B5C31D41 (2)

Weight, g/mol:

1019.566484

ΔHf, kcal/mol:

-347.99

Dipole, Da:

5.65

IP(EA), eV:

 -9.22(-0.98)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-(6-aminohexanoylamino)-N-[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]butanediamide

Drug info:

PubChemData

Smile

CC(C(=O)NC(C(=O)N1CC(CC1C(=O)NC2CCCC3=CC=CC=C23)NC(=O)C4=CC5=C(C=C4)C=C(C=C5)C(=O)NC6CC(N(C6)C(=O)C(C(C)(C)C)NC(=O)C(C)NC)C(=O)NC7CCCC8=CC=CC=C78)C(C)(C)C)NC

DOS

IR

Vibrations