Geometry & MOs

Info

ID:

82052

PubChem CID:

49855529

Reduced:

SF2O3N5H27C32 (1)

Stoich.:

AB2C3D5E27F32 (1)

Weight, g/mol:

451.218367

ΔHf, kcal/mol:

-80.82

Dipole, Da:

8.93

IP(EA), eV:

 -9.12(-1.07)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1CC1NC(=O)C2=CC3=C(S2)C4=CC=CC=C4N(CC3)C(=O)C5=CC=C(C=C5)NC(=O)C6=C(N=CC=C6)N7CC(C7)(F)F

DOS

IR

Vibrations