Geometry & MOs

Info

ID:	360000
PubChem CID:	127300144
Reduced:	FSO2N3C17H18 (1)
Stoich.:	ABC2D3E17F18 (1)
Weight, g/mol:	398.211804
ΔH_f, kcal/mol:	-96.14
Dipole, Da:	5.66
IP(EA), eV:	-8.9(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[2-(4-ethylpiperazin-1-yl)phenyl]-3-(6-fluoro-3,4-dihydro-2H-chromen-4-yl)urea

Drug info:

PubChemData

Smile

C1CCC2=C(C1)N=C(S2)NC(=O)NC3CCOC4=C3C=C(C=C4)F

DOS

IR

Vibrations