Geometry & MOs

Info

ID:	34211
PubChem CID:	7890303
Reduced:	N2O5H14C16 (1)
Stoich.:	A2B5C14D16 (1)
Weight, g/mol:	365.058549
ΔH_f, kcal/mol:	-160.96
Dipole, Da:	3.07
IP(EA), eV:	-9.22(-0.81)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(1S)-2-(3,5-dichloroanilino)-2-oxo-1-phenylethyl] butanoate

Drug info:

PubChemData

Smile

C1=CC=C(C(=C1)C(=O)N)NC(=O)COC(=O)C2=CC(=CC=C2)O

DOS

IR

Vibrations