Geometry & MOs

Info

ID:

445085

PubChem CID:

135264513

Reduced:

N5H33C47 (1)

Stoich.:

A5B33C47 (1)

Weight, g/mol:

518.289306

ΔHf, kcal/mol:

240.21

Dipole, Da:

2.84

IP(EA), eV:

 -7.75(-1.19)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R)-2-[[(2S)-3-[4-[5-(4-heptoxyphenyl)pyrimidin-2-yl]phenyl]-2-(methylamino)propanoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1CN(C2=CC3=C(C=C21)N(C4=CC=CC=C43)C5=CC=CC(=C5)C6=CC(=CC=C6)C7=NC(=NC(=N7)C8=CC=CC=C8)C9=CC=CC=C9)C1=CC=CC=C1

DOS

IR

Vibrations