Geometry & MOs

Info

ID:	145895
PubChem CID:	53608429
Reduced:	FN3O3C16H20 (1)
Stoich.:	AB3C3D16E20 (1)
Weight, g/mol:	274.006658
ΔH_f, kcal/mol:	-70.56
Dipole, Da:	2.46
IP(EA), eV:	-8.8(-1.88)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-[(6-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)sulfanyl]acetate

Drug info:

PubChemData

Smile

CCN1CCC(CC1)NC(=O)/C=C/C2=C(C=C(C=C2)F)[N+](=O)[O-]

DOS

IR

Vibrations