Geometry & MOs

Info

ID:	292004
PubChem CID:	114007125
Reduced:	BrN2O4C11H13 (1)
Stoich.:	AB2C4D11E13 (1)
Weight, g/mol:	278.147786
ΔH_f, kcal/mol:	-158.22
Dipole, Da:	5.31
IP(EA), eV:	-9.48(-0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S)-2-hydroxy-3-[[2-methoxyethyl(1-methoxypropan-2-yl)carbamoyl]amino]propanoic acid

Drug info:

PubChemData

Smile

C1=CC(=CC(=C1)Br)NC(=O)NCCC(C(=O)O)O

DOS

IR

Vibrations