Geometry & MOs

Info

ID:	60928
PubChem CID:	26703270
Reduced:	O3N4H16C20 (1)
Stoich.:	A3B4C16D20 (1)
Weight, g/mol:	491.096479
ΔH_f, kcal/mol:	-0.88
Dipole, Da:	7.73
IP(EA), eV:	-8.54(-0.97)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(3-nitrobenzoyl)amino]phenyl] (E)-3-(6-nitro-4H-1,3-benzodioxin-8-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CC1=CC(=O)C(=NN1C2=CC=CC=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C

DOS

IR

Vibrations