Geometry & MOs

Info

ID:	35674
PubChem CID:	7980182
Reduced:	BrNO4C18H18 (1)
Stoich.:	ABC4D18E18 (1)
Weight, g/mol:	381.053463
ΔH_f, kcal/mol:	-118.96
Dipole, Da:	2.65
IP(EA), eV:	-9.3(-0.34)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[2-[[(1S)-1-(3,4-dichlorophenyl)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