Geometry & MOs

Info

ID:

162010

PubChem CID:

57393309

Reduced:

ClF3N4O5C33H36 (1)

Stoich.:

AB3C4D5E33F36 (1)

Weight, g/mol:

569.148426

ΔHf, kcal/mol:

-226.28

Dipole, Da:

7.47

IP(EA), eV:

 -9.2(-0.9)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-[[(4R,5S)-4,5-bis(4-chlorophenyl)-2-(4-methoxy-2-propan-2-yloxyphenyl)-4,5-dihydroimidazole-1-carbonyl]amino]propanoic acid

Drug info:

PubChemData

Smile

COCCCC1=CC(=C(C=[N+]1[O-])Cl)CN(C2CC2)C(=O)[C@H]3CNCC(=O)N3C4=CC=C(C=C4)CCCOC5=C(C=CC(=C5F)F)F

DOS

IR

Vibrations