Geometry & MOs

Info

ID:

178704

PubChem CID:

76370943

Reduced:

PO20C50H95 (1)

Stoich.:

AB20C50D95 (1)

Weight, g/mol:

936.488962

ΔHf, kcal/mol:

-1123.56

Dipole, Da:

2.76

IP(EA), eV:

 -10.1(0.11)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-[[2-[[2-[[2-(2,6-diaminohexanoylamino)-5-(diaminomethylideneamino)pentanoyl]amino]-3-hydroxypropanoyl]amino]-5-(diaminomethylideneamino)pentanoyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]acetyl]amino]-3-(4-hydroxyphenyl)propanoic acid

Drug info:

PubChemData

Smile

CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC(COC1C(C(C(C(O1)CO)O)O)O)COC2C(C(C(C(O2)CO)O)O)O)OC(=O)CCCCCCCCCCCCCCC

DOS

IR

Vibrations