Geometry & MOs

Info

ID:

215383

PubChem CID:

85084649

Reduced:

O15C46H70 (1)

Stoich.:

A15B46C70 (1)

Weight, g/mol:

862.499298

ΔHf, kcal/mol:

-644.62

Dipole, Da:

2.92

IP(EA), eV:

 -8.61(-2.22)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[2-[[2-[[2-[[2-(1-adamantylcarbamoylamino)-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanoyl]amino]-3-phenylpropanoic acid

Drug info:

PubChemData

Smile

CC(C)CC(=O)OC1C(C2(OC(C(C1(O2)C(=O)OC(C)(C)C)(C(=O)OC(C)(C)C)O)C(=O)OC(C)(C)C)CCC(=C)C(C(C)CC3=CC=CC=C3)OC(=O)C)OC(C)(C)OC

DOS

IR

Vibrations