Geometry & MOs

Info

ID:	81676
PubChem CID:	49854999
Reduced:	OC4H7 (4)
Stoich.:	AB4C7 (4)
Weight, g/mol:	455.160281
ΔH_f, kcal/mol:	-225.66
Dipole, Da:	5.75
IP(EA), eV:	-10.62(0.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R)-3-methyl-1-N-[4-methyl-5-[2-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridin-4-yl]-1,3-thiazol-2-yl]pyrrolidine-1,2-dicarboxamide

Drug info:

PubChemData

Smile

C1CCCCCCC(=O)OCCOC(=O)CCCCC1

DOS

IR

Vibrations