Geometry & MOs

Info

ID:

315413

PubChem CID:

126626061

Reduced:

N8O39C73H122 (1)

Stoich.:

A8B39C73D122 (1)

Weight, g/mol:

439.43893

ΔHf, kcal/mol:

-1736.54

Dipole, Da:

10.7

IP(EA), eV:

 -8.88(-0.31)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-hexyloctyl N-(2,2-dimethylpropyl)-N-(2,4,4-trimethylpentan-2-yl)carbamate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C[C@@H](C(=O)NC(=O)CCCCCNC(=O)CN(CC(=O)NCCCCCC(=O)NCCO[C@@H]2[C@H]([C@H]([C@@H]([C@H](O2)CO[C@@H]3[C@H]([C@H]([C@@H](C(O3)CO)O)O)O)O)O[C@@H]4[C@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O)CC(=O)NCCCCCC(=O)NCCO[C@@H]5[C@H](C([C@@H]([C@H](O5)CO[C@@H]6[C@H]([C@H]([C@@H]([C@H](O6)CO)O)O)O)O)O[C@@H]7[C@H]([C@H]([C@@H]([C@H](O7)CO)O)O)O)O)N

DOS

IR

Vibrations