Geometry & MOs

Info

ID:	68049
PubChem CID:	46507664
Reduced:	NO2C9H9 (2)
Stoich.:	AB2C9D9 (2)
Weight, g/mol:	219.0354
ΔH_f, kcal/mol:	-74.65
Dipole, Da:	2.84
IP(EA), eV:	-8.42(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-methyl-2-oxochromene-3-carbothioamide

Drug info:

PubChemData

Smile

CCOC1=CC=C(C=C1)NC(=O)C\2CC3=CC=CC=C3O/C2=N\O

DOS

IR

Vibrations