Geometry & MOs

Info

ID:	240881
PubChem CID:	93617936
Reduced:	SO2N3C17H21 (1)
Stoich.:	AB2C3D17E21 (1)
Weight, g/mol:	346.189257
ΔH_f, kcal/mol:	-25.65
Dipole, Da:	3.7
IP(EA), eV:	-9.01(-1.09)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-1-acetyl-N-[[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]methyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C(=O)NC[C@@H](C2=CC=CC=C2)N3CCOCC3

DOS

IR

Vibrations