Geometry & MOs

Info

ID:	342221
PubChem CID:	127264998
Reduced:	NSF3O4C14H14 (1)
Stoich.:	ABC3D4E14F14 (1)
Weight, g/mol:	397.155705
ΔH_f, kcal/mol:	-259.26
Dipole, Da:	3.42
IP(EA), eV:	-9.81(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-1-benzofuran-2-carboxamide

Drug info:

PubChemData

Smile

CC1=NOC(=C1)CS(=O)(=O)C(C)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations