Geometry & MOs

Info

ID:	154592
PubChem CID:	56314058
Reduced:	FSCl2N2O3C22H25 (1)
Stoich.:	ABC2D2E3F22G25 (1)
Weight, g/mol:	352.158706
ΔH_f, kcal/mol:	-149.31
Dipole, Da:	3.88
IP(EA), eV:	-9.54(-1.07)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-(4-fluorophenyl)-5-methyl-N-(3-phenylbutyl)-1,2-oxazole-4-carboxamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)C1CCN(CC1)S(=O)(=O)C2=C(C=CC=C2Cl)Cl)C3=CC=CC=C3F

DOS

IR

Vibrations