Geometry & MOs

Info

ID:	294182
PubChem CID:	117431651
Reduced:	NO2S2C12H17 (1)
Stoich.:	AB2C2D12E17 (1)
Weight, g/mol:	271.193614
ΔH_f, kcal/mol:	-53.88
Dipole, Da:	5.01
IP(EA), eV:	-8.74(-0.8)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(1-isocyanatocyclopentyl)-1,4-di(propan-2-yl)benzene

Drug info:

PubChemData

Smile

CSC1=C(C=C(C=C1)C2(CCC2)N)S(=O)(=O)C

DOS

IR

Vibrations