Geometry & MOs

Info

ID:	359999
PubChem CID:	127300143
Reduced:	FN2O3C14H17 (1)
Stoich.:	AB2C3D14E17 (1)
Weight, g/mol:	347.110376
ΔH_f, kcal/mol:	-153.58
Dipole, Da:	2.06
IP(EA), eV:	-9.12(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)urea

Drug info:

PubChemData

Smile

C1COC2=C(C1NC(=O)N3CCOCC3)C=C(C=C2)F

DOS

IR

Vibrations