Geometry & MOs

Info

ID:	76925
PubChem CID:	48425584
Reduced:	SN3O3C18H23 (1)
Stoich.:	AB3C3D18E23 (1)
Weight, g/mol:	347.187878
ΔH_f, kcal/mol:	-82.9
Dipole, Da:	1.72
IP(EA), eV:	-9.06(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-butylsulfonyl-N-[2-(diethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide

Drug info:

PubChemData

Smile

CCN(CC)C(=O)CNC(=O)CSCC1=COC(=N1)C2=CC=CC=C2

DOS

IR

Vibrations