Geometry & MOs

Info

ID:	195935
PubChem CID:	78751307
Reduced:	ClNO6H20C21 (1)
Stoich.:	ABC6D20E21 (1)
Weight, g/mol:	405.102394
ΔH_f, kcal/mol:	-183.42
Dipole, Da:	6.03
IP(EA), eV:	-8.83(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2,6-difluoroanilino)-2-oxoethyl] 3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)prop-2-enoate

Drug info:

PubChemData

Smile

COC1=CC(=CC2=C1OCCO2)C=CC(=O)OCC(=O)NCC3=CC=CC=C3Cl

DOS

IR

Vibrations