Geometry & MOs

Info

ID:	436678
PubChem CID:	135207454
Reduced:	NSO4C19H23 (1)
Stoich.:	ABC4D19E23 (1)
Weight, g/mol:	321.168856
ΔH_f, kcal/mol:	-120.26
Dipole, Da:	6.64
IP(EA), eV:	-9.27(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl N-[2-[2-[(3S)-3-amino-2-oxopyrrolidin-1-yl]ethoxy]ethyl]carbamate

Drug info:

PubChemData

Smile

CC1=C(C=CC(=C1)S(=O)(=O)N2CCC(C2)CO)OCC3=CC=CC=C3

DOS

IR

Vibrations