Geometry & MOs

Info

ID:	367643
PubChem CID:	127325167
Reduced:	SO3N4C14H18 (1)
Stoich.:	AB3C4D14E18 (1)
Weight, g/mol:	352.118985
ΔH_f, kcal/mol:	-61.44
Dipole, Da:	4.87
IP(EA), eV:	-9.11(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(3-chlorophenyl)-N-(1,4-dioxan-2-ylmethyl)-1-methyl-5-oxopyrrolidine-3-carboxamide

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CN(N=C2)C)C(=O)NCC3COCCO3

DOS

IR

Vibrations