Geometry & MOs

Info

ID:	195276
PubChem CID:	78668060
Reduced:	FNSO5H16C20 (1)
Stoich.:	ABCD5E16F20 (1)
Weight, g/mol:	387.131802
ΔH_f, kcal/mol:	-145.67
Dipole, Da:	1.82
IP(EA), eV:	-8.86(-0.92)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[1-(3,4-dimethoxyanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-3-carboxylate

Drug info:

PubChemData

Smile

C1C(OC2=CC=CC=C2O1)C(=O)OCC3=CSC(=N3)COC4=CC=C(C=C4)F

DOS

IR

Vibrations