Geometry & MOs

Info

ID:

314917

PubChem CID:

126623965

Reduced:

BrSO3N7C26H26 (1)

Stoich.:

ABC3D7E26F26 (1)

Weight, g/mol:

547.239496

ΔHf, kcal/mol:

9.73

Dipole, Da:

6.47

IP(EA), eV:

 -9.06(-1.46)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

1-[1-[[3-[(2S,4R)-4-fluoro-2-[(2-fluoro-3-methoxyanilino)methyl]pyrrolidin-1-yl]oxetan-3-yl]methyl]-5-pyridazin-4-ylindol-3-yl]ethanone

Drug info:

PubChemData

Smile

CC1=NC=C(C=N1)C2=CC3=C(C=C2)N(N=C3C(=O)C)CC(=O)N4CCCC(C4)CNC(=O)C5=NC=C(S5)Br

DOS

IR

Vibrations