Geometry & MOs

Info

ID:	223767
PubChem CID:	85335544
Reduced:	FSN4O6C26H27 (1)
Stoich.:	ABC4D6E26F27 (1)
Weight, g/mol:	542.266874
ΔH_f, kcal/mol:	-193.54
Dipole, Da:	5.7
IP(EA), eV:	-8.82(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[5-(3-cyanophenyl)-2-bicyclo[3.1.0]hexanyl]-3-[4-fluoro-3-(trifluoromethyl)phenyl]-1-(4-piperidin-1-ylbutyl)urea

Drug info:

PubChemData

Smile

COC(=S)NCC1CN(C(=O)O1)C2=CC(=C(C=C2)N3CCN(CC3)C(=O)C=CC4=CC5=C(C=C4)OCO5)F

DOS

IR

Vibrations