Geometry & MOs

Info

ID:	224065
PubChem CID:	85337745
Reduced:	OF4N5C29H29 (1)
Stoich.:	AB4C5D29E29 (1)
Weight, g/mol:	540.162981
ΔH_f, kcal/mol:	-147.35
Dipole, Da:	9.53
IP(EA), eV:	-8.66(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(butylamino)pyrimidin-4-yl]-5-[(2,4,5-trifluorophenyl)methoxymethyl]pyrrolidine-3-thiol;2,2,2-trifluoroacetic acid

Drug info:

PubChemData

Smile

CC1CN(CCN1C)CCN(C2=CC=C(C=C2)C3=CC=CC(=C3)C#N)C(=O)NC4=CC(=C(C=C4)F)C(F)(F)F

DOS

IR

Vibrations