Geometry & MOs

Info

ID:	243771
PubChem CID:	99239493
Reduced:	N2O5C23H26 (1)
Stoich.:	A2B5C23D26 (1)
Weight, g/mol:	494.1687
ΔH_f, kcal/mol:	-175.42
Dipole, Da:	4.08
IP(EA), eV:	-8.68(-0.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[[1-(2,5-difluorophenyl)sulfonylpiperidine-4-carbonyl]-[(4-methylphenyl)methyl]amino]acetate

Drug info:

PubChemData

Smile

CCOC(=O)CN(CC1=CC=C(C=C1)C)C(=O)CCN2C(=O)COC3=CC=CC=C32

DOS

IR

Vibrations