Geometry & MOs

Info

ID:	122808
PubChem CID:	50822632
Reduced:	SN3O3C22H29 (1)
Stoich.:	AB3C3D22E29 (1)
Weight, g/mol:	473.198442
ΔH_f, kcal/mol:	-93.19
Dipole, Da:	6.28
IP(EA), eV:	-8.73(-0.65)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

ethyl 2-[4-[2-[1-(benzenesulfonyl)piperidin-4-yl]ethylcarbamoylamino]phenyl]acetate

Drug info:

PubChemData

Smile

CCC1=CC=CC=C1NC(=O)NCCC2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations