Geometry & MOs

Info

ID:	419420
PubChem CID:	135108139
Reduced:	SF2N2O4C16H22 (1)
Stoich.:	AB2C2D4E16F22 (1)
Weight, g/mol:	363.159434
ΔH_f, kcal/mol:	-250.79
Dipole, Da:	5.0
IP(EA), eV:	-9.81(-0.38)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[(1,3-dimethylpyrrolidin-3-yl)methylamino]-5-(4-fluoro-3-methoxyphenyl)-1,2-oxazole-4-carboxylic acid

Drug info:

PubChemData

Smile

CN(C)S(=O)(=O)C[C@@H]1COC[C@H]1NC(=O)CCC2=C(C=C(C=C2)F)F

DOS

IR

Vibrations