Geometry & MOs

Info

ID:	414432
PubChem CID:	135087390
Reduced:	O2F3N3C16H20 (1)
Stoich.:	A2B3C3D16E20 (1)
Weight, g/mol:	376.156912
ΔH_f, kcal/mol:	-224.04
Dipole, Da:	6.69
IP(EA), eV:	-8.99(-0.7)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(6,7-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidin-3-yl)-1-[(3R,4R)-3-methoxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone

Drug info:

PubChemData

Smile

CN1CCC[C@]2([C@H]1CN(CC2)C3=NC=CC(=C3)C(F)(F)F)C(=O)O

DOS

IR

Vibrations