Geometry & MOs

Info

ID:	223595
PubChem CID:	85335288
Reduced:	OSF3N3C23H26 (1)
Stoich.:	ABC3D3E23F26 (1)
Weight, g/mol:	450.14924
ΔH_f, kcal/mol:	-145.63
Dipole, Da:	6.29
IP(EA), eV:	-8.74(-0.77)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC(C)CC(C(=O)NCC#N)NC(C1=CC=C(C=C1)C2=CC=C(C=C2)SC)C(F)(F)F

DOS

IR

Vibrations