Geometry & MOs

Info

ID:

447732

PubChem CID:

135285195

Reduced:

N8O12C27H48 (1)

Stoich.:

A8B12C27D48 (1)

Weight, g/mol:

1074.703931

ΔHf, kcal/mol:

-549.7

Dipole, Da:

3.6

IP(EA), eV:

 -9.74(-0.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

18-[[1-[(2-methylpropan-2-yl)oxy]-6-[3-[2-[2-[3-[2-[2-[[4-[2-[(2-methylpropan-2-yl)oxycarbonylamino]oxyethylamino]-4-oxobutanoyl]amino]ethoxy]ethoxy]propanoylamino]ethoxy]ethoxy]propanoylamino]-1-oxohexan-2-yl]amino]-18-oxooctadecanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)[C@H](CCC(=O)N[C@@H](CO)C(=O)NCC(=O)NCC(=O)NCC(=O)NCC(=O)NCCONC(=O)OC(C)(C)C)N

DOS

IR

Vibrations