Geometry & MOs

Info

ID:	68005
PubChem CID:	46507592
Reduced:	SO2N3H15C17 (1)
Stoich.:	AB2C3D15E17 (1)
Weight, g/mol:	340.085935
ΔH_f, kcal/mol:	38.46
Dipole, Da:	6.12
IP(EA), eV:	-8.29(-1.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(Z)-[3-[(3-fluorophenyl)carbamoyl]chromen-2-ylidene]amino] acetate

Drug info:

PubChemData

Smile

COC1=CC=CC2=C1O/C(=N\NC3=CC=CC=C3)/C(=C2)C(=S)N

DOS

IR

Vibrations