Geometry & MOs

Info

ID:	385802
PubChem CID:	134980016
Reduced:	O3C11H14 (1)
Stoich.:	A3B11C14 (1)
Weight, g/mol:	774.36411
ΔH_f, kcal/mol:	-99.29
Dipole, Da:	2.45
IP(EA), eV:	-9.63(-0.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-[[(1S,4S,6S)-6-(4-hexylbenzoyl)-4-(4-hexylphenyl)sulfonylcyclohex-2-en-1-yl]carbamoyloxy]hexyl-trimethylazanium;bromide

Drug info:

PubChemData

Smile

COC(=O)C1(CCCC1=O)/C=C\C=C

DOS

IR

Vibrations