Geometry & MOs

Info

ID:	231623
PubChem CID:	87574323
Reduced:	ClOSF3N4H12C21 (1)
Stoich.:	ABCD3E4F12G21 (1)
Weight, g/mol:	301.058637
ΔH_f, kcal/mol:	42.39
Dipole, Da:	6.84
IP(EA), eV:	-9.15(-2.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-formylbenzoic acid;3-nitrobenzaldehyde

Drug info:

PubChemData

Smile

C1C=C(CN1C(=O)C2=C(N3C=C(C=C(C3=N2)C(F)(F)F)C4=C=CC=C4)Cl)C5=NC=CS5

DOS

IR

Vibrations