Geometry & MOs

Info

ID:	223636
PubChem CID:	85335344
Reduced:	N2F4O4H22C23 (1)
Stoich.:	A2B4C4D22E23 (1)
Weight, g/mol:	467.194402
ΔH_f, kcal/mol:	-321.02
Dipole, Da:	2.69
IP(EA), eV:	-9.54(-0.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2,3-bis(1,3-benzodioxol-5-yl)-4-(dibutylamino)-4-oxobut-2-enoic acid

Drug info:

PubChemData

Smile

CC1=C(C(=CC=C1)C2=CC(=C(C=C2)C(C)NC(=O)C3(CC3)NC(=O)C(F)(F)F)F)C(=O)OC

DOS

IR

Vibrations