Geometry & MOs

Info

ID:	60551
PubChem CID:	26697178
Reduced:	SN2F3O4C18H19 (1)
Stoich.:	AB2C3D4E18F19 (1)
Weight, g/mol:	452.188212
ΔH_f, kcal/mol:	-290.97
Dipole, Da:	5.62
IP(EA), eV:	-8.79(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-[2-(4-ethylanilino)-2-oxoethyl]sulfanylpropanamide

Drug info:

PubChemData

Smile

CCC1=CC=C(C=C1)NC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)OC(F)(F)F

DOS

IR

Vibrations