Geometry & MOs

Info

ID:	32183
PubChem CID:	6435784
Reduced:	O3N4H8C9 (2)
Stoich.:	A3B4C8D9 (2)
Weight, g/mol:	329.031771
ΔH_f, kcal/mol:	-27.01
Dipole, Da:	3.53
IP(EA), eV:	-9.11(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (E)-4-[2-(4-nitrophenyl)sulfonylhydrazinyl]-4-oxobut-2-enoate

Drug info:

PubChemData

Smile

CN1C2=NNC(=O)NC2(C(=O)N(C1=O)C)C3=CC=C(C=C3)N/N=C\C4=CC=C(O4)[N+](=O)[O-]

DOS

IR

Vibrations