Geometry & MOs

Info

ID:	356886
PubChem CID:	127292490
Reduced:	O2N4C21H30 (1)
Stoich.:	A2B4C21D30 (1)
Weight, g/mol:	396.16314
ΔH_f, kcal/mol:	-72.83
Dipole, Da:	3.55
IP(EA), eV:	-8.86(-0.14)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-fluorophenyl]-3-(1-prop-2-enylpiperidin-4-yl)urea

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)NC(=O)NC2CCN(CC2)CC=C)C(=O)N3CCCC3

DOS

IR

Vibrations