Geometry & MOs

Info

ID:	135735
PubChem CID:	51923372
Reduced:	SN2O2C14H16 (1)
Stoich.:	AB2C2D14E16 (1)
Weight, g/mol:	358.189257
ΔH_f, kcal/mol:	-26.07
Dipole, Da:	1.47
IP(EA), eV:	-8.65(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2S)-2-[[(1S)-1-(1-benzofuran-2-yl)ethyl]carbamoyl]pyrrolidine-1-carboxylate

Drug info:

PubChemData

Smile

C[C@H](C(=O)OC)SC1=NC2=CC=CC=C2N1CC=C

DOS

IR

Vibrations