Geometry & MOs

Info

ID:	195932
PubChem CID:	78750643
Reduced:	N2F3O3C19H19 (1)
Stoich.:	A2B3C3D19E19 (1)
Weight, g/mol:	405.102394
ΔH_f, kcal/mol:	-217.97
Dipole, Da:	7.7
IP(EA), eV:	-9.12(-0.61)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

CC1=CC(=C(N1C2CC2)C)C(=O)OC(C)C(=O)NC3=C(C(=C(C=C3)F)F)F

DOS

IR

Vibrations