Geometry & MOs

Info

ID:

439516

PubChem CID:

135229291

Reduced:

NO13C50H81 (1)

Stoich.:

AB13C50D81 (1)

Weight, g/mol:

418.322915

ΔHf, kcal/mol:

-633.23

Dipole, Da:

8.31

IP(EA), eV:

 -8.77(-0.49)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-(4-amino-2,4-dimethylpentan-2-yl)-3-(3-methoxy-3-methylbutoxy)-3-methyl-N-(2-methyl-2-sulfanylpropyl)butanamide

Drug info:

PubChemData

Smile

C/C=C/C=C(\C)/[C@H](C[C@@H]1CC[C@H]([C@@](O1)(C(=O)C(=O)N2CCCCC2C(=O)O[C@@H](CC(=O)[C@H](C)/C=C(\C)/[C@H]([C@H](C(=O)[C@H](C)CC(C)C)OC)O)[C@H](C)CC3CC[C@H]([C@@H](C3)OC)O)O)C)O

DOS

IR

Vibrations