Geometry & MOs

Info

ID:	295187
PubChem CID:	117520914
Reduced:	BrO4C18H23 (1)
Stoich.:	AB4C18D23 (1)
Weight, g/mol:	381.96412
ΔH_f, kcal/mol:	-162.85
Dipole, Da:	4.26
IP(EA), eV:	-8.8(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(8-bromo-6-propan-2-yl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonyl chloride

Drug info:

PubChemData

Smile

COC1=C(C(=CC(=C1)C2(CCCC2)C(=O)O)Br)OC3CCCC3

DOS

IR

Vibrations