Geometry & MOs

Info

ID:	294636
PubChem CID:	117476057
Reduced:	NSO4C14H17 (1)
Stoich.:	ABC4D14E17 (1)
Weight, g/mol:	295.087829
ΔH_f, kcal/mol:	-132.15
Dipole, Da:	4.51
IP(EA), eV:	-10.02(-0.76)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclobutyl)-5-methoxy-4-methyl-2-methylsulfonylbenzene

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)S(=O)(=O)C)C2(CCCC2)N=C=O

DOS

IR

Vibrations