Geometry & MOs

Info

ID:

447390

PubChem CID:

135282549

Reduced:

ClFN3O4H29C30 (1)

Stoich.:

ABC3D4E29F30 (1)

Weight, g/mol:

514.31552

ΔHf, kcal/mol:

-118.1

Dipole, Da:

6.85

IP(EA), eV:

 -9.69(-1.33)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

[4-[4-[(2S,4S)-5-amino-2,4-dimethyl-2-[(2-methylpropan-2-yl)oxycarbonyl]pentoxy]-3-[(dimethylamino)methyl]phenyl]pyridin-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CC(C1(CC1)CO[C@@]2(C3=C(C=C(C=C3F)C(C)(C)O)C(=O)N2CC4=NC=C(C=C4)C#N)C5=CC=C(C=C5)Cl)O

DOS

IR

Vibrations