Geometry & MOs

Info

ID:	174843
PubChem CID:	75821533
Reduced:	FSO3N4C20H29 (1)
Stoich.:	ABC3D4E20F29 (1)
Weight, g/mol:	388.162077
ΔH_f, kcal/mol:	-147.81
Dipole, Da:	5.72
IP(EA), eV:	-8.92(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-acetamido-N-[[1-(4-fluorophenyl)cyclopentyl]methyl]-3-thiophen-2-ylpropanamide

Drug info:

PubChemData

Smile

CC1C(C(NC2C1C(=O)NN2C)O)CCC(=O)NCCSCC3=CC=CC=C3F

DOS

IR

Vibrations