Geometry & MOs

Info

ID:	193075
PubChem CID:	78338567
Reduced:	OS2N5H21C25 (1)
Stoich.:	AB2C5D21E25 (1)
Weight, g/mol:	445.023226
ΔH_f, kcal/mol:	118.54
Dipole, Da:	7.51
IP(EA), eV:	-8.82(-1.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-[2-[5-(2,5-dichlorophenyl)furan-2-yl]ethenyl]-4-(methoxymethyl)-3-nitro-6-oxo-3H-pyridine-5-carbonitrile

Drug info:

PubChemData

Smile

C1CCC2=C(C1)C3C(=NC(=NC3=O)CSC4=NN=C(N4C5=CC=CC=C5)C6=CC=CC=C6)S2

DOS

IR

Vibrations