Geometry & MOs

Info

ID:	265183
PubChem CID:	103512892
Reduced:	INSH2O2C6 (1)
Stoich.:	ABCD2E2F6 (1)
Weight, g/mol:	195.008706
ΔH_f, kcal/mol:	-8.44
Dipole, Da:	2.86
IP(EA), eV:	-9.83(-1.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-chloro-5-methylbenzoyl isocyanate

Drug info:

PubChemData

Smile

C1=C(SC=C1C(=O)N=C=O)I

DOS

IR

Vibrations