Geometry & MOs

Info

ID:	402707
PubChem CID:	135056974
Reduced:	NOSC11H23 (1)
Stoich.:	ABCD11E23 (1)
Weight, g/mol:	280.00989
ΔH_f, kcal/mol:	-55.47
Dipole, Da:	3.7
IP(EA), eV:	-8.38(0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CCC[C@H](CC=C)N[S@](=O)C(C)(C)C

DOS

IR

Vibrations