Geometry & MOs

Info

ID:	238706
PubChem CID:	92765109
Reduced:	ON2F4C22H24 (1)
Stoich.:	AB2C4D22E24 (1)
Weight, g/mol:	489.277361
ΔH_f, kcal/mol:	-211.63
Dipole, Da:	5.74
IP(EA), eV:	-8.98(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3R)-1-(1-methylindol-5-yl)sulfonyl-N-[3-(4-propylpiperazin-1-yl)propyl]piperidine-3-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN1CCO)[C@H]2C[C@H](C3=C2C=C(C=C3)C(F)(F)F)C4=CC=C(C=C4)F

DOS

IR

Vibrations