Geometry & MOs

Info

ID:

168463

PubChem CID:

74971892

Reduced:

NO4C25H39 (1)

Stoich.:

AB4C25D39 (1)

Weight, g/mol:

1033.549771

ΔHf, kcal/mol:

-215.27

Dipole, Da:

7.01

IP(EA), eV:

 -8.45(0.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-acetamido-3-(1H-imidazol-5-yl)propanoyl]-N-[1-[[1-[[1-[[1-[(1-amino-1-oxo-3-phenylpropan-2-yl)amino]-4-methyl-1-oxopentan-2-yl]amino]-3-hydroxy-6-methyl-1-oxoheptan-4-yl]amino]-3-(1H-imidazol-5-yl)-1-oxopropan-2-yl]amino]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC(=O)C1CCC2C1(CC(=O)C3C2CCC4C3(CC(C(C4)O)N5CCOCC5)C)C

DOS

IR

Vibrations