Geometry & MOs

Info

ID:	64206
PubChem CID:	29198331
Reduced:	ClO2S2N6H13C17 (1)
Stoich.:	AB2C2D6E13F17 (1)
Weight, g/mol:	411.198048
ΔH_f, kcal/mol:	85.16
Dipole, Da:	4.72
IP(EA), eV:	-9.01(-1.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2R)-2-(1H-indol-3-yl)-2-piperidin-1-ylethyl]-1-(3-methylphenyl)methanesulfonamide

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C2=CSC(=N2)NC(=O)CSC3=NN=C(N3N)C4=CC=CO4)Cl

DOS

IR

Vibrations