Geometry & MOs

Info

ID:

82055

PubChem CID:

49855532

Reduced:

ClF2O2N4C23H23 (1)

Stoich.:

AB2C2D4E23F23 (1)

Weight, g/mol:

511.138672

ΔHf, kcal/mol:

-119.91

Dipole, Da:

4.36

IP(EA), eV:

 -8.85(-0.48)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2S)-2-amino-1-[3-(4-chloro-3-fluoroanilino)-2-(4-fluorophenyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]-2-(4-fluorophenyl)ethanone

Drug info:

PubChemData

Smile

CC(C)[C@@H](C(=O)N1CCN2C(=NC(=C2NC3=CC(=C(C=C3)Cl)F)C4=CC=C(C=C4)F)C1)O

DOS

IR

Vibrations