Geometry & MOs

Info

ID:	251013
PubChem CID:	103100847
Reduced:	NCl2O2S2C11H15 (1)
Stoich.:	AB2C2D2E11F15 (1)
Weight, g/mol:	400.95218
ΔH_f, kcal/mol:	-83.39
Dipole, Da:	5.8
IP(EA), eV:	-9.48(-1.19)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(bromomethyl)-4-(5-chloro-4-methylthiophen-2-yl)sulfonyl-2,2-dimethylmorpholine

Drug info:

PubChemData

Smile

CC1CN(CCC1Cl)S(=O)(=O)C2=CC(=C(S2)Cl)C

DOS

IR

Vibrations