Geometry & MOs

Info

ID:	243115
PubChem CID:	99215712
Reduced:	N3O3C26H33 (1)
Stoich.:	A3B3C26D33 (1)
Weight, g/mol:	411.141676
ΔH_f, kcal/mol:	-88.81
Dipole, Da:	6.68
IP(EA), eV:	-8.62(0.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-1-benzyl-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCCCC(=O)N2CCN(CC2)CC(=O)N3CCC4=CC=CC=C43

DOS

IR

Vibrations