Geometry & MOs

Info

ID:	62037
PubChem CID:	26717171
Reduced:	N4O4H22C27 (1)
Stoich.:	A4B4C22D27 (1)
Weight, g/mol:	480.072429
ΔH_f, kcal/mol:	2.3
Dipole, Da:	1.67
IP(EA), eV:	-8.82(-0.78)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[(2-chloro-5-nitrobenzoyl)amino]phenyl] (E)-3-(2,3-dihydro-1,4-benzodioxin-6-yl)prop-2-enoate

Drug info:

PubChemData

Smile

C1COC2=C(O1)C=CC(=C2)/C=C/C(=O)NNC(=O)C3=CN(N=C3C4=CC=CC=C4)C5=CC=CC=C5

DOS

IR

Vibrations