Geometry & MOs

Info

ID:

376863

PubChem CID:

134222892

Reduced:

SN3O4C25H27 (1)

Stoich.:

AB3C4D25E27 (1)

Weight, g/mol:

547.184026

ΔHf, kcal/mol:

-67.07

Dipole, Da:

6.95

IP(EA), eV:

 -8.74(-1.02)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[2-[4-fluoro-2-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,5-oxadiazol-3-yl]carbamoyl]pyrrolidin-1-yl]ethyl]-5-pyridazin-4-ylindazole-3-carboxamide

Drug info:

PubChemData

Smile

CNC(=O)C(CCC=O)N(C)C(=O)C1=C(C=CC(=C1)CN=CC2=CC3=C(S2)CCC=C3)C=O

DOS

IR

Vibrations