Geometry & MOs

Info

ID:	229770
PubChem CID:	87568898
Reduced:	O4C17H32 (1)
Stoich.:	A4B17C32 (1)
Weight, g/mol:	575.120811
ΔH_f, kcal/mol:	-242.07
Dipole, Da:	0.89
IP(EA), eV:	-10.72(0.53)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-chloro-6-[(3S)-3-[(1S)-2-cyano-1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethyl]pyrrolidin-1-yl]-5-fluoropyridine-3-carbonitrile;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CCCCCCC(CCCC)COC(=O)CCC(=O)OC

DOS

IR

Vibrations