Geometry & MOs

Info

ID:	84457
PubChem CID:	49866483
Reduced:	PN4O8C29H41 (1)
Stoich.:	AB4C8D29E41 (1)
Weight, g/mol:	516.117807
ΔH_f, kcal/mol:	-379.42
Dipole, Da:	7.37
IP(EA), eV:	-9.3(0.32)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(2-methoxyethyl)-N-oxo-4-[4-[4-(trifluoromethoxy)phenoxy]phenyl]sulfonylpiperidine-4-carboxamide

Drug info:

PubChemData

Smile

C[C@H](CP(=O)([C@H](CC1=CC=CC=C1)NC(=O)CC2=CC=CC=C2)O)C(=O)N[C@@H](CCCCN)C(=O)N[C@H](CO)C(=O)O

DOS

IR

Vibrations