Geometry & MOs

Info

ID:	46536
PubChem CID:	10525070
Reduced:	SCl2N2O4H14C16 (1)
Stoich.:	AB2C2D4E14F16 (1)
Weight, g/mol:	401.087492
ΔH_f, kcal/mol:	-58.01
Dipole, Da:	4.52
IP(EA), eV:	-9.64(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

5-[[5-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-4-yl]methoxy]-1-benzofuran-2-carbaldehyde

Drug info:

PubChemData

Smile

C1CN(CC2=C1C=CC(=C2)[N+](=O)[O-])S(=O)(=O)CC3=CC(=C(C=C3)Cl)Cl

DOS

IR

Vibrations