Geometry & MOs

Info

ID:	437370
PubChem CID:	135226179
Reduced:	OC11H19 (2)
Stoich.:	AB11C19 (2)
Weight, g/mol:	561.139465
ΔH_f, kcal/mol:	-106.23
Dipole, Da:	4.62
IP(EA), eV:	-9.16(-0.03)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-[(2S,4R)-4-fluoro-2-[[2-fluoro-3-([1,3]thiazolo[5,4-b]pyridin-6-yl)phenyl]carbamoyl]pyrrolidin-1-yl]-2-oxoethyl]indazole-3-carboxamide

Drug info:

PubChemData

Smile

CCCCCCCCC[C@@H](/C=C/C=C\C=C\[C@H](C/C=C\CC)O)O

DOS

IR

Vibrations