Geometry & MOs

Info

ID:	16543
PubChem CID:	472338
Reduced:	SN2O5C27H36 (1)
Stoich.:	AB2C5D27E36 (1)
Weight, g/mol:	500.234493
ΔH_f, kcal/mol:	-193.55
Dipole, Da:	5.97
IP(EA), eV:	-9.18(-0.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[3-[(2R)-2-benzyl-5-oxopyrrolidin-1-yl]-2-hydroxypropyl]-N-(cyclopentylmethyl)-4-methoxybenzenesulfonamide

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)S(=O)(=O)N(CC2CCCC2)CC(CN3[C@H](CCC3=O)CC4=CC=CC=C4)O

DOS

IR

Vibrations