Geometry & MOs

Info

ID:	64151
PubChem CID:	29196908
Reduced:	O2S2N3C18H23 (1)
Stoich.:	A2B2C3D18E23 (1)
Weight, g/mol:	384.060722
ΔH_f, kcal/mol:	-15.54
Dipole, Da:	8.21
IP(EA), eV:	-8.56(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

[(1R)-2-[(5-chlorothiophen-2-yl)sulfonylamino]-1-(1H-indol-3-yl)ethyl]-dimethylazanium

Drug info:

PubChemData

Smile

CCC1=CC=C(S1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)N(C)C

DOS

IR

Vibrations