Geometry & MOs

Info

ID:	60170
PubChem CID:	26675821
Reduced:	SCl2N2O5H14C19 (1)
Stoich.:	AB2C2D5E14F19 (1)
Weight, g/mol:	452.065377
ΔH_f, kcal/mol:	-54.1
Dipole, Da:	1.5
IP(EA), eV:	-9.3(-1.24)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(furan-2-ylmethyl)-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-3-(trifluoromethyl)benzenesulfonamide

Drug info:

PubChemData

Smile

C1=COC(=C1)CN(CC2=NOC(=C2)C3=CC=CO3)S(=O)(=O)C4=CC(=C(C=C4)Cl)Cl

DOS

IR

Vibrations