Geometry & MOs

Info

ID:	63537
PubChem CID:	26758576
Reduced:	FNO5C20H20 (1)
Stoich.:	ABC5D20E20 (1)
Weight, g/mol:	361.112564
ΔH_f, kcal/mol:	-213.61
Dipole, Da:	3.88
IP(EA), eV:	-8.45(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2R)-1-(3-fluoroanilino)-1-oxopropan-2-yl] 4-(4-fluorophenyl)-4-oxobutanoate

Drug info:

PubChemData

Smile

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

DOS

IR

Vibrations