Geometry & MOs

Info

ID:	154142
PubChem CID:	56313541
Reduced:	ClFSN2O3C19H22 (1)
Stoich.:	ABCD2E3F19G22 (1)
Weight, g/mol:	452.211136
ΔH_f, kcal/mol:	-137.08
Dipole, Da:	0.98
IP(EA), eV:	-9.56(-1.1)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(E)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxyphenyl]-N-[2-(2-fluorophenyl)-2-methylpropyl]prop-2-enamide

Drug info:

PubChemData

Smile

CC(C)(CNC(=O)CN(C)S(=O)(=O)C1=CC=C(C=C1)Cl)C2=CC=CC=C2F

DOS

IR

Vibrations