Geometry & MOs

Info

ID:	32855
PubChem CID:	7848924
Reduced:	SN2O5C21H22 (1)
Stoich.:	AB2C5D21E22 (1)
Weight, g/mol:	400.146821
ΔH_f, kcal/mol:	-144.67
Dipole, Da:	5.72
IP(EA), eV:	-9.11(-1.33)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 2-[(4-fluorophenyl)sulfonyl-methylamino]acetate

Drug info:

PubChemData

Smile

CC(C)(C)C(=O)CSC1=NC2=C(C=CC(=C2)C(=O)OC)C(=O)N1CC3=CC=CO3

DOS

IR

Vibrations