Geometry & MOs

Info

ID:	206266
PubChem CID:	80225005
Reduced:	BrN2O2S2C14H17 (1)
Stoich.:	AB2C2D2E14F17 (1)
Weight, g/mol:	352.9755
ΔH_f, kcal/mol:	-19.2
Dipole, Da:	4.89
IP(EA), eV:	-8.36(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-3-propylazetidin-3-ol

Drug info:

PubChemData

Smile

CC1=C(C=C(S1)Br)S(=O)(=O)NCCN(C)C2=CC=CC=C2

DOS

IR

Vibrations