Geometry & MOs

Info

ID:	157492
PubChem CID:	56431944
Reduced:	S2N4O5C21H22 (1)
Stoich.:	A2B4C5D21E22 (1)
Weight, g/mol:	371.128821
ΔH_f, kcal/mol:	-107.41
Dipole, Da:	5.87
IP(EA), eV:	-9.32(-1.0)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

C1COC2=C(C=C(C=C2)S(=O)(=O)NCCC(=O)NCC3=NC(=CS3)C4=CC=NC=C4)OC1

DOS

IR

Vibrations