Geometry & MOs

Info

ID:

447428

PubChem CID:

135282825

Reduced:

N3O6C26H37 (1)

Stoich.:

A3B6C26D37 (1)

Weight, g/mol:

487.268236

ΔHf, kcal/mol:

-248.1

Dipole, Da:

9.12

IP(EA), eV:

 -9.18(-0.7)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[1-amino-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentoxy]-3-(hydroxymethyl)phenyl]pyridin-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

C[C@@H](C[C@@](C)(COC1=C(C=C(C=C1)C2=CC(=NC=C2)N(C)C(=O)O)CO)C(=O)OC(C)(C)C)CN

DOS

IR

Vibrations