Geometry & MOs

Info

ID:

161734

PubChem CID:

57392475

Reduced:

FO2N6C26H29 (1)

Stoich.:

AB2C6D26E29 (1)

Weight, g/mol:

581.258437

ΔHf, kcal/mol:

1.91

Dipole, Da:

3.94

IP(EA), eV:

 -8.69(-1.09)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-tert-butyl-3-[2-[3-fluoro-4-[4-[(2S)-2-hydroxypropyl]piperazin-1-yl]anilino]pyrrolo[2,1-f][1,2,4]triazin-7-yl]benzenesulfonamide

Drug info:

PubChemData

Smile

C[C@@H](CN1CCN(CC1)C2=C(C=C(C=C2)NC3=NN4C(=CC=C4C5=CC=CC=C5OC)C=N3)F)O

DOS

IR

Vibrations