Geometry & MOs

Info

ID:	223606
PubChem CID:	85335300
Reduced:	OF3N3C26H26 (1)
Stoich.:	AB3C3D26E26 (1)
Weight, g/mol:	453.160139
ΔH_f, kcal/mol:	-136.67
Dipole, Da:	1.66
IP(EA), eV:	-8.22(-1.29)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-[[1-(4-chlorophenyl)sulfonyl-6-methylpiperidin-2-yl]methyl]-3-(3-imidazol-1-ylpropyl)urea

Drug info:

PubChemData

Smile

CCCC1=CC(=C2C=C(C=CC2=N1)NC(=O)C=CC3=CC=C(C=C3)C(F)(F)F)NC4CCC4

DOS

IR

Vibrations