Geometry & MOs

Info

ID:	276166
PubChem CID:	103821031
Reduced:	FO2N3C16H20 (1)
Stoich.:	AB2C3D16E20 (1)
Weight, g/mol:	463.108959
ΔH_f, kcal/mol:	-104.0
Dipole, Da:	6.61
IP(EA), eV:	-8.93(-0.74)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(9H-fluoren-9-ylmethoxycarbonylamino)-1,1-dioxo-2,3-dihydrothiochromene-4-carboxylic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)NC1CC(C1)NC2=C(C=C(C=C2)C#N)F

DOS

IR

Vibrations