Geometry & MOs

Info

ID:

7152

PubChem CID:

71390

Reduced:

N5O9C34H63 (1)

Stoich.:

A5B9C34D63 (1)

Weight, g/mol:

685.462579

ΔHf, kcal/mol:

-526.22

Dipole, Da:

9.83

IP(EA), eV:

 -9.88(0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S,4S)-3-hydroxy-4-[[(2R)-2-[[(3S)-3-hydroxy-6-methyl-4-[[3-methyl-2-[[3-methyl-2-(3-methylbutanoylamino)butanoyl]amino]butanoyl]amino]heptanoyl]amino]propanoyl]amino]-6-methylheptanoic acid

Drug info:

PubChemData

Smile

C[C@H](C(=O)N[C@@H](CC(C)C)[C@H](CC(=O)O)O)NC(=O)C[C@@H](C(CC(C)C)NC(=O)C(C(C)C)NC(=O)C(C(C)C)NC(=O)CC(C)C)O

DOS

IR

Vibrations