Geometry & MOs

Info

ID:	69351
PubChem CID:	46530795
Reduced:	N3O4C21H29 (1)
Stoich.:	A3B4C21D29 (1)
Weight, g/mol:	450.143628
ΔH_f, kcal/mol:	-133.16
Dipole, Da:	3.08
IP(EA), eV:	-8.52(-0.52)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-methoxy-N-[4-methylsulfonyl-1-oxo-1-[3-(trifluoromethyl)piperidin-1-yl]butan-2-yl]benzamide

Drug info:

PubChemData

Smile

COC1=C(C=C(C=C1)/C=C/C(=O)N2CCN(CC2)C(=O)N3CCCCC3)OC

DOS

IR

Vibrations