Geometry & MOs

Info

ID:	304310
PubChem CID:	124514348
Reduced:	BrO2C8H13 (1)
Stoich.:	AB2C8D13 (1)
Weight, g/mol:	243.147058
ΔH_f, kcal/mol:	-101.83
Dipole, Da:	2.64
IP(EA), eV:	-10.55(-0.37)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R)-3-methyl-2-[[2-[(2S)-oxan-2-yl]acetyl]amino]butanoic acid

Drug info:

PubChemData

Smile

CC(C)(C)OC(=O)/C=C\CBr

DOS

IR

Vibrations