Geometry & MOs

Info

ID:	70255
PubChem CID:	48409762
Reduced:	SN4O4C17H24 (1)
Stoich.:	AB4C4D17E24 (1)
Weight, g/mol:	400.191069
ΔH_f, kcal/mol:	-128.26
Dipole, Da:	3.48
IP(EA), eV:	-8.99(-0.42)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]propanamide

Drug info:

PubChemData

Smile

CC1=C(C(=NN1CCOC)C)CNC(=O)C2=CC(=CC=C2)NS(=O)(=O)C

DOS

IR

Vibrations