Geometry & MOs

Info

ID:	181530
PubChem CID:	76756672
Reduced:	N2S2O6H12C17 (1)
Stoich.:	A2B2C6D12E17 (1)
Weight, g/mol:	587.256227
ΔH_f, kcal/mol:	-25.88
Dipole, Da:	48.21
IP(EA), eV:	-8.08(-4.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 4-[3-(4-chlorophenyl)-4-[(4-fluorophenoxy)carbonyl-propan-2-ylamino]pyrrolidine-1-carbonyl]piperidine-1-carboxylate

Drug info:

PubChemData

Smile

C=S(=O)(C1=CC2=C(C=C1)C(=NNC3=CC=C(C=C3)S(=O)(=O)[O-])C(=O)C=C2)[O-]

DOS

IR

Vibrations