Geometry & MOs

Info

ID:	137997
PubChem CID:	52297228
Reduced:	O4N5H22C23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	355.108959
ΔH_f, kcal/mol:	-32.39
Dipole, Da:	3.78
IP(EA), eV:	0.0(0.0)
Spin(S_z, S²):	0.500000, 0.867953
Charge, e:	0

Chem-info

IUPAC name:

ethyl (2R)-1-(4-methoxycarbonylphenyl)sulfonylpiperidine-2-carboxylate

Drug info:

PubChemData

Smile

CC1=C(C(=NC2=C1C(=O)NN2C)[O-])CCC(=O)NCC3=CC(=NC=C3)OC4=CC=CC=C4

DOS

IR

Vibrations