Geometry & MOs

Info

ID:

224148

PubChem CID:

85338740

Reduced:

N3Sn3O10C14H23 (1)

Stoich.:

A3B3C10D14E23 (1)

Weight, g/mol:

744.333021

ΔHf, kcal/mol:

-273.25

Dipole, Da:

9.62

IP(EA), eV:

 -6.24(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[[2-(2-aminopropanoylamino)-4-methylpentanoyl]amino]-4-[[1-[[1-[(1-carboxy-2-hydroxypropyl)amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-3-(4-hydroxyphenyl)-1-oxopropan-2-yl]amino]-4-oxobutanoic acid

Drug info:

PubChemData

Smile

C(CN(CC(=O)O)CC(=O)O)N(CCN(CC(=O)O)CC(=O)O)CC(=O)O.[Sn+4].[Sn+4].[Sn+4]

DOS

IR

Vibrations