Geometry & MOs

Info

ID:	335495
PubChem CID:	127254357
Reduced:	N4S4O6C23H28 (1)
Stoich.:	A4B4C6D23E28 (1)
Weight, g/mol:	411.159434
ΔH_f, kcal/mol:	-178.58
Dipole, Da:	4.57
IP(EA), eV:	-8.3(-1.22)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-(6-fluoro-1,2-benzoxazol-3-yl)piperidine-1-carboxamide

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)N(/C(=C/C(=C\C3=[N+](C4=CC=CC=C4S3)CCCS(=O)(=O)O)/N)/S2)CCCS(=O)(=O)[O-].N

DOS

IR

Vibrations