Geometry & MOs

Info

ID:	393866
PubChem CID:	135021842
Reduced:	BrNO4C10H10 (1)
Stoich.:	ABC4D10E10 (1)
Weight, g/mol:	394.185235
ΔH_f, kcal/mol:	-97.62
Dipole, Da:	3.76
IP(EA), eV:	-8.88(-0.72)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl (2R,3S)-2-azido-3-hydroxy-4-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoate

Drug info:

PubChemData

Smile

CONC(=O)CC1=CC2=C(C=C1Br)OCO2

DOS

IR

Vibrations