Geometry & MOs

Info

ID:

445029

PubChem CID:

135264291

Reduced:

O5N6C44H52 (1)

Stoich.:

A5B6C44D52 (1)

Weight, g/mol:

701.361091

ΔHf, kcal/mol:

-115.58

Dipole, Da:

8.33

IP(EA), eV:

 -8.71(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-4-amino-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-1-hydroxypropyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CCCCCCCOC1=CC=C(C=C1)C2=CN=C(N=C2)C3=CC=C(C=C3)C[C@@H](C(=O)N[C@@H](CC4=CN(N=C4)C)C(=O)O)NC(=O)C5=CC=C(C=C5)C(C)(C)C

DOS

IR

Vibrations