Geometry & MOs

Info

ID:	244553
PubChem CID:	99364945
Reduced:	ClNOH7C9 (2)
Stoich.:	ABCD7E9 (2)
Weight, g/mol:	453.172228
ΔH_f, kcal/mol:	3.95
Dipole, Da:	6.15
IP(EA), eV:	-9.59(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]benzamide

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C2=CC(=NO2)CNC(=O)CC3=C(C=CC=C3Cl)Cl

DOS

IR

Vibrations