Geometry & MOs

Info

ID:	68767
PubChem CID:	46509052
Reduced:	ClSN4O4C19H21 (1)
Stoich.:	ABC4D4E19F21 (1)
Weight, g/mol:	408.148535
ΔH_f, kcal/mol:	-108.99
Dipole, Da:	8.13
IP(EA), eV:	-9.0(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl] (E)-3-(3,5-dimethyl-1-phenylpyrazol-4-yl)prop-2-enoate

Drug info:

PubChemData

Smile

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1COC(=O)C3=C(C=CC(=C3)Cl)N

DOS

IR

Vibrations