Geometry & MOs

Info

ID:	243738
PubChem CID:	99234483
Reduced:	N2O5C24H36 (1)
Stoich.:	A2B5C24D36 (1)
Weight, g/mol:	417.229742
ΔH_f, kcal/mol:	-219.98
Dipole, Da:	3.27
IP(EA), eV:	-8.26(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl N-[[(3R)-1-[(2R)-1-propylsulfonylpyrrolidine-2-carbonyl]piperidin-3-yl]methyl]carbamate

Drug info:

PubChemData

Smile

CCOC1=C(C=C(C=C1)/C=C/C(=O)N2CCC[C@H](C2)CNC(=O)OC(C)(C)C)OCC

DOS

IR

Vibrations