Geometry & MOs

Info

ID:	33750
PubChem CID:	7887937
Reduced:	OS3N4H14C17 (1)
Stoich.:	AB3C4D14E17 (1)
Weight, g/mol:	381.98521
ΔH_f, kcal/mol:	69.17
Dipole, Da:	6.76
IP(EA), eV:	-8.9(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6-bromo-1,3-benzodioxol-5-yl)methyl 2-fluoro-4-methoxybenzoate

Drug info:

PubChemData

Smile

CC1=NC2=C(C3=C(S2)CCC3)C(=N1)SCC(=O)NC4=C(C=CS4)C#N

DOS

IR

Vibrations