Geometry & MOs

Info

ID:	79688
PubChem CID:	49829988
Reduced:	NO6C23H35 (1)
Stoich.:	AB6C23D35 (1)
Weight, g/mol:	416.15654
ΔH_f, kcal/mol:	-260.21
Dipole, Da:	4.98
IP(EA), eV:	-7.98(0.0)
Spin(S_z, S²):	None, None
Charge, e:	1

Chem-info

IUPAC name:

cycloheptyl-[4-(4-ethoxyphenyl)sulfonyl-1,1-dioxothiolan-3-yl]azanium

Drug info:

PubChemData

Smile

CC1CCC(C(C1)OCC(=O)OC(C)C(=O)NC2=CC(=C(C=C2)OC)OC)C(C)C

DOS

IR

Vibrations