Geometry & MOs

Info

ID:	346278
PubChem CID:	127270782
Reduced:	SO2N4C21H26 (1)
Stoich.:	AB2C4D21E26 (1)
Weight, g/mol:	332.117235
ΔH_f, kcal/mol:	-46.78
Dipole, Da:	3.27
IP(EA), eV:	-8.97(-0.66)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(6-fluoro-4H-1,3-benzodioxin-8-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

Drug info:

PubChemData

Smile

CC1=CSC(=N1)C2=CC(=CC=C2)NC(=O)C3CCCN(C3)C(=O)N4CCCC4

DOS

IR

Vibrations