Geometry & MOs

Info

ID:	265182
PubChem CID:	103512891
Reduced:	NO3H7C10 (1)
Stoich.:	AB3C7D10 (1)
Weight, g/mol:	278.8851
ΔH_f, kcal/mol:	-70.16
Dipole, Da:	1.99
IP(EA), eV:	-9.13(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-iodothiophene-3-carbonyl isocyanate

Drug info:

PubChemData

Smile

C1C(C2=CC=CC=C2O1)C(=O)N=C=O

DOS

IR

Vibrations