Geometry & MOs

Info

ID:

215401

PubChem CID:

85084683

Reduced:

NPO10C50H74 (1)

Stoich.:

ABC10D50E74 (1)

Weight, g/mol:

880.37311

ΔHf, kcal/mol:

-446.2

Dipole, Da:

3.48

IP(EA), eV:

 -8.89(-0.01)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-(benzylamino)-3-[[2-[[1-benzyl-5-oxo-6-[(2-phenylacetyl)amino]-2,3,6,7,8,8a-hexahydro-1H-indolizine-3-carbonyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]-4-oxobutanoic acid;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCC=CC=CCC=CCC=CCC=CCC=CCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCC=CCC=CCC=CCC=CCC=CC=CCCC

DOS

IR

Vibrations