Geometry & MOs

Info

ID:

445079

PubChem CID:

135264496

Reduced:

N5H25C39 (1)

Stoich.:

A5B25C39 (1)

Weight, g/mol:

764.360757

ΔHf, kcal/mol:

223.97

Dipole, Da:

4.35

IP(EA), eV:

 -7.96(-0.97)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)N2C=CC3=C2C=CC4=C3N(C5=C4C6=CC=CC=C6C=C5)C7=CC(=NC(=C7)C8=CC=CC=N8)C9=CC=CC=N9

DOS

IR

Vibrations