Geometry & MOs

Info

ID:	54996
PubChem CID:	17389639
Reduced:	NSO2C14H17 (1)
Stoich.:	ABC2D14E17 (1)
Weight, g/mol:	277.11365
ΔH_f, kcal/mol:	-26.67
Dipole, Da:	5.01
IP(EA), eV:	-10.22(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[cyclohexyl(isocyano)methyl]sulfonyl-4-methylbenzene

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)S(=O)(=O)C(C2CCCC2)[N+]#[C-]

DOS

IR

Vibrations