Geometry & MOs

Info

ID:

445103

PubChem CID:

135264540

Reduced:

SO4N5C40H49 (1)

Stoich.:

AB4C5D40E49 (1)

Weight, g/mol:

665.267191

ΔHf, kcal/mol:

-108.84

Dipole, Da:

6.79

IP(EA), eV:

 -8.66(-0.75)

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-[6-(3-methylphenoxy)pyridin-3-yl]pyrimidin-2-yl]phenyl]propyl]amino]propanoic 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)N4CC[C@@H](C4)C(=O)N)NC(=O)C5=CC=C(S5)C(C)(C)C

DOS

IR

Vibrations