Geometry & MOs

Info

ID:	237663
PubChem CID:	92720354
Reduced:	SN4O5C21H26 (1)
Stoich.:	AB4C5D21E26 (1)
Weight, g/mol:	443.052028
ΔH_f, kcal/mol:	-125.63
Dipole, Da:	5.23
IP(EA), eV:	-9.59(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(2-benzoylhydrazinyl)-2-oxoethyl] 5-(2-chloro-4-nitrophenyl)furan-2-carboxylate

Drug info:

PubChemData

Smile

CC1=NN(C2=C1C(=CC(=N2)C3CC3)C(=O)O[C@@H](C)C(=O)NC4CC4)[C@@H]5CCS(=O)(=O)C5

DOS

IR

Vibrations