Geometry & MOs

Info

ID:	64810
PubChem CID:	29204032
Reduced:	ClN2S2O5C21H25 (1)
Stoich.:	AB2C2D5E21F25 (1)
Weight, g/mol:	418.099871
ΔH_f, kcal/mol:	-185.96
Dipole, Da:	7.63
IP(EA), eV:	-9.49(-1.43)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(3S)-1,1-dioxothiolan-3-yl]-5-(3-fluoro-4-methylphenyl)-N-(furan-2-ylmethyl)-1,2-oxazole-3-carboxamide

Drug info:

PubChemData

Smile

C[C@@H]1C[C@@H](CN(C1)C(=O)C2=C(C=CC(=C2)S(=O)(=O)NC3=CC=C(C=C3)S(=O)(=O)C)Cl)C

DOS

IR

Vibrations