Geometry & MOs

Info

ID:	276169
PubChem CID:	103821043
Reduced:	SN4O4C23H24 (1)
Stoich.:	AB4C4D23E24 (1)
Weight, g/mol:	228.147393
ΔH_f, kcal/mol:	-81.45
Dipole, Da:	8.09
IP(EA), eV:	-9.02(-0.57)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-N-butyl-N-(2-hydroxyethyl)-5-oxopyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CN1C=NN=C1CSCCC(C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24

DOS

IR

Vibrations