Geometry & MOs

Info

ID:	339009
PubChem CID:	127260020
Reduced:	NSO4H13C16 (1)
Stoich.:	ABC4D13E16 (1)
Weight, g/mol:	270.09258
ΔH_f, kcal/mol:	-78.55
Dipole, Da:	5.64
IP(EA), eV:	-8.81(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4-methoxycyclohexyl) benzenesulfonate

Drug info:

PubChemData

Smile

COC1=C2C=CC=C(C2=NC=C1)OS(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations