Geometry & MOs

Info

ID:	205099
PubChem CID:	80056147
Reduced:	SBr2O3C14H18 (1)
Stoich.:	AB2C3D14E18 (1)
Weight, g/mol:	264.074621
ΔH_f, kcal/mol:	-120.86
Dipole, Da:	7.0
IP(EA), eV:	-8.81(-0.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-methoxy-6,7-dihydro-[1,4]dioxino[2,3-f]benzimidazol-3-yl)acetic acid

Drug info:

PubChemData

Smile

CS(=O)(=O)C1CCCC(C1)OC2=C(C=C(C=C2)CBr)Br

DOS

IR

Vibrations