Geometry & MOs

Info

ID:

445090

PubChem CID:

135264521

Reduced:

N2O3C21H26 (2)

Stoich.:

A2B3C21D26 (2)

Weight, g/mol:

544.304956

ΔHf, kcal/mol:

-194.58

Dipole, Da:

10.15

IP(EA), eV:

 -8.82(-0.99)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(3S)-1-[(2S)-2-(methylamino)-3-[4-[5-[4-(5-methylhexoxy)phenyl]pyrimidin-2-yl]phenyl]propanoyl]pyrrolidine-3-carboxylic acid

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations