Geometry & MOs

Info

ID:	158804
PubChem CID:	56479320
Reduced:	N3O3C28H31 (1)
Stoich.:	A3B3C28D31 (1)
Weight, g/mol:	432.171893
ΔH_f, kcal/mol:	-71.81
Dipole, Da:	2.34
IP(EA), eV:	-8.55(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[(2,4-dimethylphenoxy)methyl]-N-(1,1-dioxo-4-pyrrolidin-1-ylthiolan-3-yl)furan-2-carboxamide

Drug info:

PubChemData

Smile

CC1=CC=C(C=C1)NC(=O)NCC2CCCN(C2)C(=O)C3=CC(=CC=C3)OCC4=CC=CC=C4

DOS

IR

Vibrations