Geometry & MOs

Info

ID:

437086

PubChem CID:

135214608

Reduced:

N10O12C59H104 (1)

Stoich.:

A10B12C59D104 (1)

Weight, g/mol:

514.267902

ΔHf, kcal/mol:

-684.9

Dipole, Da:

12.14

IP(EA), eV:

 -9.32(0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[2-[[1-[(2S,3R)-3-(2,4-dimethylphenyl)-4-methylpentan-2-yl]oxy-2-methyl-3-oxopropan-2-yl]carbamoyl]-4-methoxypyridin-3-yl]oxymethyl acetate

Drug info:

PubChemData

Smile

CCCCCCCCC(C(=O)N[C@@H]([C@@H](C(C)C)O)C(=O)NC(C)(C)C(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CC(C)C)C(=O)NC(C)(C)C(=O)NC(C)(C)C(=O)NCCC(=O)N1CCOCC1)NC(=O)[C@@H]2CCCN2C(=O)/C=C/[C@@H](C)CC

DOS

IR

Vibrations