Geometry & MOs

Info

ID:	388708
PubChem CID:	134989965
Reduced:	ClN2O2S3H5C10 (1)
Stoich.:	AB2C2D3E5F10 (1)
Weight, g/mol:	202.09938
ΔH_f, kcal/mol:	35.21
Dipole, Da:	3.99
IP(EA), eV:	-9.25(-2.2)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-ethyl-4,7-dimethylchromen-2-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)S(=O)(=O)/C(=C/2\C(=NSS2)Cl)/C#N

DOS

IR

Vibrations