Geometry & MOs

Info

ID:

168547

PubChem CID:

74986618

Reduced:

O4N5C36H47 (1)

Stoich.:

A4B5C36D47 (1)

Weight, g/mol:

569.378849

ΔHf, kcal/mol:

-119.37

Dipole, Da:

3.36

IP(EA), eV:

 -8.79(-0.37)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-acetamido-4-(diaminomethylideneamino)-2-[1-(hexadecanoylamino)-2,3-dihydroxypropyl]-3,4-dihydro-2H-pyran-6-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(CC=CC(=O)N(C)C(CC1=CC2=CC=CC=C2C=C1)C(=O)N(C)C(CC3=CC=CC=C3)C(=O)N(C)CC(=O)N(C)C)N

DOS

IR

Vibrations