Geometry & MOs

Info

ID:	61531
PubChem CID:	26710264
Reduced:	ClNO3C16H16 (1)
Stoich.:	ABC3D16E16 (1)
Weight, g/mol:	452.121749
ΔH_f, kcal/mol:	-80.87
Dipole, Da:	3.69
IP(EA), eV:	-8.45(-0.68)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl (3R)-1-[4-[(3,4-difluorophenyl)sulfonylamino]benzoyl]piperidine-3-carboxylate

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)OCCNC(=O)C2=CC=C(C=C2)Cl

DOS

IR

Vibrations