Geometry & MOs

Info

ID:	63556
PubChem CID:	26758613
Reduced:	SF2N2O5C22H26 (1)
Stoich.:	AB2C2D5E22F26 (1)
Weight, g/mol:	379.103142
ΔH_f, kcal/mol:	-262.68
Dipole, Da:	6.2
IP(EA), eV:	-9.15(-1.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-1-(3,4-difluoroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NC(=O)/C=C/C2=CC(=C(C=C2)OC(F)F)OC

DOS

IR

Vibrations