Geometry & MOs

Info

ID:	35896
PubChem CID:	7980462
Reduced:	ClNO5H20C22 (1)
Stoich.:	ABC5D20E22 (1)
Weight, g/mol:	301.111422
ΔH_f, kcal/mol:	-164.53
Dipole, Da:	4.33
IP(EA), eV:	-9.9(-2.18)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[2-(2-fluorophenyl)acetyl]amino]acetate

Drug info:

PubChemData

Smile

C[C@@H](C(C)C)NC(=O)COC(=O)C1=C(C2=C(C=C1)C(=O)C3=CC=CC=C3C2=O)Cl

DOS

IR

Vibrations