Geometry & MOs

Info

ID:	122305
PubChem CID:	50801584
Reduced:	FN6C25H25 (1)
Stoich.:	AB6C25D25 (1)
Weight, g/mol:	472.19444
ΔH_f, kcal/mol:	80.89
Dipole, Da:	3.71
IP(EA), eV:	-8.56(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N,N-diethyl-2-[4-(4-fluorophenyl)piperazine-1-carbonyl]-1-methylindole-5-sulfonamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)C2=NN3C(=C4CCCC4=NC3=N2)N5CCN(CC5)C6=CC=C(C=C6)F

DOS

IR

Vibrations