Geometry & MOs

Info

ID:	156482
PubChem CID:	56370789
Reduced:	BrNSO4C17H24 (1)
Stoich.:	ABCD4E17F24 (1)
Weight, g/mol:	404.02931
ΔH_f, kcal/mol:	-163.56
Dipole, Da:	4.16
IP(EA), eV:	-8.88(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

oxan-2-ylmethyl 2-(4-bromophenyl)sulfonyl-2-methylpropanoate

Drug info:

PubChemData

Smile

CCN1CCCC(C1)OC(=O)C(C)(C)S(=O)(=O)C2=CC=C(C=C2)Br

DOS

IR

Vibrations