Geometry & MOs

Info

ID:	55665
PubChem CID:	17395758
Reduced:	S2O3N4C19H26 (1)
Stoich.:	A2B3C4D19E26 (1)
Weight, g/mol:	365.190341
ΔH_f, kcal/mol:	-82.97
Dipole, Da:	7.87
IP(EA), eV:	-8.97(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[4-[(2-fluorophenyl)methyl]piperazin-1-yl]-3-(1H-indol-3-yl)propan-1-one

Drug info:

PubChemData

Smile

CC1=CC(=C(C=C1)NC2=NN=C(S2)SCC(=O)NC(CC(C)C)C(=O)OC)C

DOS

IR

Vibrations