Geometry & MOs

Info

ID:	365870
PubChem CID:	127319118
Reduced:	FSN3O4C18H26 (1)
Stoich.:	ABC3D4E18F26 (1)
Weight, g/mol:	351.158292
ΔH_f, kcal/mol:	-206.5
Dipole, Da:	7.24
IP(EA), eV:	-9.29(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-oxo-4H-1,4-benzoxazin-7-yl)-3-(1-phenylcyclopentyl)urea

Drug info:

PubChemData

Smile

CC(C1CCCC1)NC(=O)NC2=CC(=C(C=C2)F)S(=O)(=O)N3CCOCC3

DOS

IR

Vibrations