Geometry & MOs

Info

ID:	64184
PubChem CID:	29197974
Reduced:	SN3O3C23H29 (1)
Stoich.:	AB3C3D23E29 (1)
Weight, g/mol:	389.123169
ΔH_f, kcal/mol:	-54.36
Dipole, Da:	2.89
IP(EA), eV:	-8.43(0.01)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(1H-indol-3-yl)-2-piperidin-1-ylethyl]thiophene-2-sulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CCS(=O)(=O)[N-]C[C@H](C2=CNC3=CC=CC=C32)[NH+]4CCCC4

DOS

IR

Vibrations