Geometry & MOs

Info

ID:	135071
PubChem CID:	51808658
Reduced:	SN3O6C18H23 (1)
Stoich.:	AB3C6D18E23 (1)
Weight, g/mol:	433.123346
ΔH_f, kcal/mol:	-218.69
Dipole, Da:	11.63
IP(EA), eV:	-8.74(-1.01)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

(2R)-2-[[1-(4-fluorophenyl)sulfonylpiperidine-4-carbonyl]amino]-3-phenylpropanoate

Drug info:

PubChemData

Smile

CC(C)[C@H](C(=O)O)NC(=O)CSCC1=NC(=O)C2=CC(=C(C=C2N1)OC)OC

DOS

IR

Vibrations