Geometry & MOs

Info

ID:	204592
PubChem CID:	79987723
Reduced:	BrNOSH14C17 (1)
Stoich.:	ABCDE14F17 (1)
Weight, g/mol:	364.9755
ΔH_f, kcal/mol:	26.32
Dipole, Da:	2.37
IP(EA), eV:	-8.85(-0.98)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[1-(5-bromo-4-methylthiophen-2-yl)sulfonylpyrrolidin-2-yl]propan-2-one

Drug info:

PubChemData

Smile

CC1=C(SC(=C1)C(=O)NCC2=CC=CC3=CC=CC=C32)Br

DOS

IR

Vibrations