Geometry & MOs

Info

ID:	63863
PubChem CID:	26759348
Reduced:	SF2N2O6C20H22 (1)
Stoich.:	AB2C2D6E20F22 (1)
Weight, g/mol:	402.161329
ΔH_f, kcal/mol:	-298.79
Dipole, Da:	4.61
IP(EA), eV:	-9.37(-0.99)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3S)-N-(2-methyl-5-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide

Drug info:

PubChemData

Smile

CC1=C(C=C(C=C1)S(=O)(=O)N2CCOCC2)NC(=O)C3=CC(=C(C=C3)OC(F)F)OC

DOS

IR

Vibrations