Geometry & MOs

Info

ID:	358854
PubChem CID:	127296725
Reduced:	SO2N3C20H27 (1)
Stoich.:	AB2C3D20E27 (1)
Weight, g/mol:	335.200905
ΔH_f, kcal/mol:	-47.67
Dipole, Da:	2.99
IP(EA), eV:	-8.65(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(3-fluoro-5-morpholin-4-ylphenyl)-3-(4-methylcyclohexyl)urea

Drug info:

PubChemData

Smile

CCCOC1CCCN(CC1)C(=O)NC2=CC3=C(C=C2)N=C(S3)C4CC4

DOS

IR

Vibrations