Geometry & MOs

Info

ID:	178203
PubChem CID:	76294145
Reduced:	SN3O5C24H31 (1)
Stoich.:	AB3C5D24E31 (1)
Weight, g/mol:	472.212198
ΔH_f, kcal/mol:	-185.24
Dipole, Da:	8.31
IP(EA), eV:	-8.55(-0.86)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[5-[5-(4-fluorophenyl)pyrazolidin-3-yl]pentyl]-N-methyl-6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxamide

Drug info:

PubChemData

Smile

CC(C(=O)NCC1(CCCC1)C2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)NC(=O)C

DOS

IR

Vibrations