Geometry & MOs

Info

ID:	294863
PubChem CID:	117501060
Reduced:	NO2F3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	315.023515
ΔH_f, kcal/mol:	-225.92
Dipole, Da:	4.21
IP(EA), eV:	-9.08(-0.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(1-isocyanatocyclopropyl)-2,3-bis(methylsulfonyl)benzene

Drug info:

PubChemData

Smile

C1CCC(CC1)(C2=CC3=C(C=C2C(F)(F)F)OCCCO3)N

DOS

IR

Vibrations