Geometry & MOs

Info

ID:	68505
PubChem CID:	46508542
Reduced:	SF3N3O3C18H18 (1)
Stoich.:	AB3C3D3E18F18 (1)
Weight, g/mol:	372.132136
ΔH_f, kcal/mol:	-191.95
Dipole, Da:	2.86
IP(EA), eV:	-9.22(-0.82)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(1,3-benzodioxol-5-ylmethyl)-N-[(6-nitro-4H-1,3-benzodioxin-8-yl)methyl]ethanamine

Drug info:

PubChemData

Smile

C1CN(CCN1C(=O)CNC2=C(C(=C(C=C2)F)F)F)S(=O)(=O)C3=CC=CC=C3

DOS

IR

Vibrations