Geometry & MOs

Info

ID:	62930
PubChem CID:	26737676
Reduced:	SO2N6H18C25 (1)
Stoich.:	AB2C6D18E25 (1)
Weight, g/mol:	446.098825
ΔH_f, kcal/mol:	92.4
Dipole, Da:	2.26
IP(EA), eV:	-9.11(-1.63)
Spin(S_z, S²):	None, None
Charge, e:	-1

Chem-info

IUPAC name:

4-[(4Z)-4-[[5-(2-methoxy-4-nitrophenyl)furan-2-yl]methylidene]-3-methyl-5-oxopyrazol-1-yl]benzoate

Drug info:

PubChemData

Smile

CC1=C(SC(=N1)C2=CC=CC=N2)C(=O)NNC(=O)C3=CC(=NC4=CC=CC=C43)C5=CC=CC=N5

DOS

IR

Vibrations