Geometry & MOs

Info

ID:	204598
PubChem CID:	79988054
Reduced:	BrS2N3O4H8C9 (1)
Stoich.:	AB2C3D4E8F9 (1)
Weight, g/mol:	243.111542
ΔH_f, kcal/mol:	-79.06
Dipole, Da:	5.46
IP(EA), eV:	-9.4(-1.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-ethyl-1-(3-methylthiophen-2-yl)-2-propan-2-ylsulfanylethanamine

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)S(=O)(=O)NC2=NNC(=C2)C(=O)O)Br

DOS

IR

Vibrations