Geometry & MOs

Info

ID:	402275
PubChem CID:	135055297
Reduced:	ClSN2O3C14H19 (1)
Stoich.:	ABC2D3E14F19 (1)
Weight, g/mol:	280.00989
ΔH_f, kcal/mol:	-78.01
Dipole, Da:	4.35
IP(EA), eV:	-9.5(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-bromophenyl)-[(6S)-6-hydroxycyclohexen-1-yl]methanone

Drug info:

PubChemData

Smile

CO/N=C\1/CCCCC1CNS(=O)(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations