Geometry & MOs

Info

ID:	340949
PubChem CID:	127263384
Reduced:	BrClNO2C10H13 (1)
Stoich.:	ABCD2E10F13 (1)
Weight, g/mol:	314.256943
ΔH_f, kcal/mol:	-99.54
Dipole, Da:	2.87
IP(EA), eV:	-9.86(-0.48)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-[(2S)-1-(ethylamino)-3-hydroxy-1-oxopropan-2-yl]dodecanamide

Drug info:

PubChemData

Smile

COC(=O)[C@H](CC1=CC=CC=C1Br)N.Cl

DOS

IR

Vibrations