Geometry & MOs

Info

ID:	261815
PubChem CID:	103252842
Reduced:	NO3C13H15 (1)
Stoich.:	AB3C13D15 (1)
Weight, g/mol:	300.99834
ΔH_f, kcal/mol:	-95.09
Dipole, Da:	5.9
IP(EA), eV:	-9.16(-0.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 2-bromo-3-(1-methylsulfonylpropan-2-ylamino)propanoate

Drug info:

PubChemData

Smile

C1CC(C1C(=O)O)NC2COC3=CC=CC=C23

DOS

IR

Vibrations