Geometry & MOs

Info

ID:	62489
PubChem CID:	26719791
Reduced:	NOSF2H9C15 (1)
Stoich.:	ABCD2E9F15 (1)
Weight, g/mol:	339.138305
ΔH_f, kcal/mol:	-70.13
Dipole, Da:	2.97
IP(EA), eV:	-9.22(-1.58)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[2,5-dimethyl-1-(5-methyl-1,2-oxazol-3-yl)pyrrol-3-yl]-N-(3-fluorophenyl)prop-2-enamide

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)F)NC(=O)C2=CC3=C(S2)C=CC(=C3)F

DOS

IR

Vibrations