Geometry & MOs

Info

ID:	157497
PubChem CID:	56431954
Reduced:	SN3O5C22H23 (1)
Stoich.:	AB3C5D22E23 (1)
Weight, g/mol:	409.200156
ΔH_f, kcal/mol:	-143.81
Dipole, Da:	4.94
IP(EA), eV:	-9.08(-1.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

1-(benzylcarbamoylamino)-N-(2,3-dihydro-1,4-benzodioxin-5-ylmethyl)cyclopentane-1-carboxamide

Drug info:

PubChemData

Smile

COCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3=C4C(=CC=C3)OCCO4)NC1=S

DOS

IR

Vibrations