Geometry & MOs

Info

ID:	64150
PubChem CID:	29196843
Reduced:	SO2N3C20H26 (1)
Stoich.:	AB2C3D20E26 (1)
Weight, g/mol:	377.123169
ΔH_f, kcal/mol:	-3.66
Dipole, Da:	5.56
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 1.169377
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(1H-indol-3-yl)ethyl]-5-ethylthiophene-2-sulfonamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)NC[C@H](C2=CNC3=CC=CC=C32)[NH+](C)C)C

DOS

IR

Vibrations