Geometry & MOs

Info

ID:	228240
PubChem CID:	87563722
Reduced:	ClOSN3H8C13 (1)
Stoich.:	ABCD3E8F13 (1)
Weight, g/mol:	258.011548
ΔH_f, kcal/mol:	46.36
Dipole, Da:	7.87
IP(EA), eV:	-9.36(-1.27)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(trifluoromethoxy)-2-(trifluoromethyl)benzaldehyde

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)C(=O)NC2=NC3=CN=C(C=C3S2)Cl

DOS

IR

Vibrations