Geometry & MOs

Info

ID:	35673
PubChem CID:	7980181
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	391.04192
ΔH_f, kcal/mol:	-115.61
Dipole, Da:	4.47
IP(EA), eV:	-9.36(-0.44)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1R)-1-(4-bromophenyl)ethyl]amino]-2-oxoethyl] 2-phenoxyacetate

Drug info:

PubChemData

Smile

C[C@@H](C1=CC=C(C=C1)Br)NC(=O)COC(=O)COC2=CC=CC=C2

DOS

IR

Vibrations