Geometry & MOs

Info

ID:	292837
PubChem CID:	117360518
Reduced:	NSF2C12H15 (1)
Stoich.:	ABC2D12E15 (1)
Weight, g/mol:	243.071785
ΔH_f, kcal/mol:	-89.87
Dipole, Da:	3.04
IP(EA), eV:	-9.34(-0.69)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-(1-isocyanatocyclopropyl)-2,3-dimethyl-1-benzothiophene

Drug info:

PubChemData

Smile

C1CCC(C1)(C2=CC=CC=C2SC(F)F)N

DOS

IR

Vibrations