Geometry & MOs

Info

ID:	158283
PubChem CID:	56463294
Reduced:	OSN4C23H28 (1)
Stoich.:	ABC4D23E28 (1)
Weight, g/mol:	346.151513
ΔH_f, kcal/mol:	12.49
Dipole, Da:	5.07
IP(EA), eV:	-8.61(-0.79)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(4-fluorophenyl)pyrrolidin-1-yl]-[4-methyl-2-(2-methylpropyl)-1,3-thiazol-5-yl]methanone

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)CC(C)C)C(=O)N2CCN(CC2)CC3=CC=CC4=C3N=CC=C4

DOS

IR

Vibrations