Geometry & MOs

Info

ID:	60930
PubChem CID:	26703305
Reduced:	N2O5H16C21 (1)
Stoich.:	A2B5C16D21 (1)
Weight, g/mol:	498.123857
ΔH_f, kcal/mol:	-46.79
Dipole, Da:	6.95
IP(EA), eV:	-8.52(-1.62)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enamide

Drug info:

PubChemData

Smile

C1C2=C(C(=CC(=C2)[N+](=O)[O-])/C=C/C(=O)NC3=CC=CC4=CC=CC=C43)OCO1

DOS

IR

Vibrations