Geometry & MOs

Info

ID:	422190
PubChem CID:	135117361
Reduced:	FSO2N3C23H24 (1)
Stoich.:	ABC2D3E23F24 (1)
Weight, g/mol:	363.159434
ΔH_f, kcal/mol:	-57.15
Dipole, Da:	7.19
IP(EA), eV:	-8.32(-0.4)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

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

Drug info:

PubChemData

Smile

COC1=CC=C(C=C1)CNC(=O)C2CCN(CC2)C3=NC(=CS3)C4=CC=C(C=C4)F

DOS

IR

Vibrations