Geometry & MOs

Info

ID:	81808
PubChem CID:	49855190
Reduced:	SF3O3N6C24H31 (1)
Stoich.:	AB3C3D6E24F31 (1)
Weight, g/mol:	406.158723
ΔH_f, kcal/mol:	-255.42
Dipole, Da:	5.12
IP(EA), eV:	-8.96(-0.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-1-N-[5-[2-(2-fluoropropan-2-yl)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]-3-methylpyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)NC(=O)N2CC[C@H]([C@H]2C(=O)N)CN3CCOCC3)C4=CC(=NC=C4)C(C)(C)C(F)(F)F

DOS

IR

Vibrations