Geometry & MOs

Info

ID:

444981

PubChem CID:

135264151

Reduced:

O3N5C32H41 (1)

Stoich.:

A3B5C32D41 (1)

Weight, g/mol:

675.414841

ΔHf, kcal/mol:

-74.75

Dipole, Da:

5.64

IP(EA), eV:

 -8.48(-0.81)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4-tert-butyl-N-[(2S)-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-oxo-1-(pyrrolidin-3-ylmethylamino)propan-2-yl]benzamide

Drug info:

PubChemData

Smile

CC(C)(C)C1=CC=C(C=C1)C(=O)N[C@@H](CC2=CC=C(C=C2)C3=NC=C(C=N3)N4CCN(CC4)C(C)(C)C)C(=O)O

DOS

IR

Vibrations