Geometry & MOs

Info

ID:	229441
PubChem CID:	87567673
Reduced:	BrPO6C12H16 (1)
Stoich.:	ABC6D12E16 (1)
Weight, g/mol:	206.090272
ΔH_f, kcal/mol:	-287.41
Dipole, Da:	4.39
IP(EA), eV:	-9.1(-0.67)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S)-3-hydroxy-1-[methoxy(methyl)amino]-1-oxopropan-2-yl]-methylcarbamic acid

Drug info:

PubChemData

Smile

CCC(C)OP(=O)(C(C1=CC2=C(C=C1Br)OCO2)O)O

DOS

IR

Vibrations