Geometry & MOs

Info

ID:	49320
PubChem CID:	11532816
Reduced:	ClS2N3O4C19H32 (1)
Stoich.:	AB2C3D4E19F32 (1)
Weight, g/mol:	466.147982
ΔH_f, kcal/mol:	-172.76
Dipole, Da:	5.63
IP(EA), eV:	-8.95(-0.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-(1-benzyl-3,4-dihydro-2H-pyridin-4-yl)-2-[3,5-bis(trifluoromethyl)phenyl]-5-methyl-1,3-oxazole

Drug info:

PubChemData

Smile

CS(=O)(=O)N1CCCN(CCCN(CC(=C)C1)S(=O)(=O)C)CC2=CC=CC=C2.Cl

DOS

IR

Vibrations