Geometry & MOs

Info

ID:	63548
PubChem CID:	26758595
Reduced:	ClFN2O4H16C18 (1)
Stoich.:	ABC2D4E16F18 (1)
Weight, g/mol:	379.103142
ΔH_f, kcal/mol:	-173.17
Dipole, Da:	4.65
IP(EA), eV:	-9.05(-1.08)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(2,5-difluoroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

C[C@H](C(=O)NC1=C(N=CC=C1)Cl)OC(=O)CCC(=O)C2=CC=C(C=C2)F

DOS

IR

Vibrations