Geometry & MOs

Info

ID:	204612
PubChem CID:	79988800
Reduced:	BrNS2O4C10H14 (1)
Stoich.:	ABC2D4E10F14 (1)
Weight, g/mol:	213.118735
ΔH_f, kcal/mol:	-142.92
Dipole, Da:	6.63
IP(EA), eV:	-9.78(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-ethoxy-N-ethyl-1-(3-methylthiophen-2-yl)ethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)N[C@@H](C(C)C)C(=O)O)Br

DOS

IR

Vibrations