Geometry & MOs

Info

ID:	446860
PubChem CID:	135278295
Reduced:	FS2N4O9C51H57 (1)
Stoich.:	AB2C4D9E51F57 (1)
Weight, g/mol:	245.162708
ΔH_f, kcal/mol:	-324.49
Dipole, Da:	9.05
IP(EA), eV:	-8.48(-0.91)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl 2-[2-[(3R)-pyrrolidin-3-yl]oxyethoxy]acetate

Drug info:

PubChemData

Smile

CC1=C(SC=N1)C2=CC=C(C=C2)[C@H](C)NC(=O)[C@@H]3C[C@H](CN3C(=O)[C@H](C(C)(C)C)NC(=O)COCCCOCCCOC4=CC=C(C=C4)OC5=C(SC6=C5C=CC(=C6)O)C7=CC=C(C=C7)F)O

DOS

IR

Vibrations