Geometry & MOs

Info

ID:

44974

PubChem CID:

10506961

Reduced:

N2O3C36H46 (1)

Stoich.:

A2B3C36D46 (1)

Weight, g/mol:

554.194286

ΔHf, kcal/mol:

-115.18

Dipole, Da:

3.7

IP(EA), eV:

 -8.37(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(2R,3E,5S,6E,8R)-8-amino-2-benzyl-9-(methoxycarbonyldisulfanyl)-5-propan-2-ylnona-3,6-dienoyl]amino]-4-methylsulfanylbutanoic acid

Drug info:

PubChemData

Smile

CCCCCCCN(C1=CC=CC=C1)C2=C(C=C3C(=C2)C(CCC3(C)C)(C)C)NC(=O)C4=CC=C(C=C4)C(=O)OC

DOS

IR

Vibrations