Geometry & MOs

Info

ID:

445088

PubChem CID:

135264518

Reduced:

N5H33C47 (1)

Stoich.:

A5B33C47 (1)

Weight, g/mol:

600.277027

ΔHf, kcal/mol:

240.7

Dipole, Da:

1.2

IP(EA), eV:

 -7.74(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-2-[(5-tert-butylthiophene-2-carbonyl)amino]-1-hydroxy-3-[4-[5-(4-propan-2-ylphenyl)pyrimidin-2-yl]phenyl]propyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(C2=C1C3=C(C=C2)N(C4=CC=CC=C43)C5=CC=CC(=C5)C6=CC=C(C=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations