Geometry & MOs

Info

ID:

1592

PubChem CID:

4743

Reduced:

N5O9C34H63 (1)

Stoich.:

A5B9C34D63 (1)

Weight, g/mol:

685.462579

ΔHf, kcal/mol:

-535.24

Dipole, Da:

7.49

IP(EA), eV:

 -9.78(0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-hydroxy-4-[2-[[3-hydroxy-6-methyl-4-[[3-methyl-2-[[4-methyl-2-(2-methylpropanoylamino)pentanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoylamino]-6-methylheptanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(C(CC(=O)O)O)NC(=O)C(C)NC(=O)CC(C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(CC(C)C)NC(=O)C(C)C)O

DOS

IR

Vibrations