Geometry & MOs

Info

ID:	64167
PubChem CID:	29197198
Reduced:	FSN3O3C20H24 (1)
Stoich.:	ABC3D3E20F24 (1)
Weight, g/mol:	401.177313
ΔH_f, kcal/mol:	-102.15
Dipole, Da:	3.74
IP(EA), eV:	-8.5(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-2-(dimethylamino)-2-(1H-indol-3-yl)ethyl]-2-(4-methoxyphenyl)ethanesulfonamide

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)S(=O)(=O)NC[C@@H](C2=CNC3=CC=CC=C32)N(C)C)F

DOS

IR

Vibrations