Geometry & MOs

Info

ID:	35876
PubChem CID:	7980435
Reduced:	BrN2O3H13C15 (1)
Stoich.:	AB2C3D13E15 (1)
Weight, g/mol:	347.092436
ΔH_f, kcal/mol:	-62.77
Dipole, Da:	3.91
IP(EA), eV:	-9.87(-1.16)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(4-chlorophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)COC(=O)CNC(=O)C2=CC(=CN=C2)Br

DOS

IR

Vibrations