Geometry & MOs

Info

ID:

325250

PubChem CID:

126682291

Reduced:

NH35C36 (1)

Stoich.:

AB35C36 (1)

Weight, g/mol:

599.2145

ΔHf, kcal/mol:

156.22

Dipole, Da:

0.89

IP(EA), eV:

 -8.03(0.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

cyclohexyl (2S)-2-[[[(2R,3S,4R,5R)-5-(4-aminopyrrolo[1,2-b]pyridazin-7-yl)-5-cyano-3,4-dihydroxyoxolan-2-yl]methoxy-phenoxyphosphoryl]amino]propanoate

Drug info:

PubChemData

Smile

CC1(C2=CC=CCC2C3=C1C=C(C=C3)N(C4=CCC5C6=CC=CC=C6C(C5=C4)(C)C)C7=CC=CC=C7)C

DOS

IR

Vibrations