Geometry & MOs

Info

ID:	244957
PubChem CID:	99431665
Reduced:	O2N5C22H29 (1)
Stoich.:	A2B5C22D29 (1)
Weight, g/mol:	459.182792
ΔH_f, kcal/mol:	-48.75
Dipole, Da:	5.7
IP(EA), eV:	-8.55(-0.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(4-methylphenyl)-3-[[(3S)-1-[2-(3-methylsulfonylphenoxy)acetyl]piperidin-3-yl]methyl]urea

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NC[C@H]2CCCN(C2)C(=O)C3=C(N=CC=C3)N(C)C

DOS

IR

Vibrations