Geometry & MOs

Info

ID:	163461
PubChem CID:	57990643
Reduced:	FSN2O3H31C32 (1)
Stoich.:	ABC2D3E31F32 (1)
Weight, g/mol:	209.108565
ΔH_f, kcal/mol:	-80.12
Dipole, Da:	2.93
IP(EA), eV:	-7.91(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[methyl(2-propan-2-ylsulfonylethyl)amino]ethanol

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)F)NCC2=C(C=CC3=C2C(=CC(N3)(C)C)C)C4=C(C=C(C=C4)OC(=O)C5=CC=CS5)OC

DOS

IR

Vibrations