Geometry & MOs

Info

ID:

17123

PubChem CID:

484672

Reduced:

N3O9C36H53 (1)

Stoich.:

A3B9C36D53 (1)

Weight, g/mol:

671.37818

ΔHf, kcal/mol:

-420.41

Dipole, Da:

4.75

IP(EA), eV:

 -8.5(-0.4)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

methyl (2S)-2-[[(2S)-2-[[(2S)-2-[4-[7-(4-methoxy-4-oxobutoxy)naphthalen-2-yl]oxybutanoylamino]-3-methylbutanoyl]amino]-4-methylpentanoyl]amino]-3-methylbutanoate

Drug info:

PubChemData

Smile

CC(C)C[C@@H](C(=O)N[C@@H](C(C)C)C(=O)OC)NC(=O)[C@H](C(C)C)NC(=O)CCCOC1=CC2=C(C=C1)C=CC(=C2)OCCCC(=O)OC

DOS

IR

Vibrations