Geometry & MOs

Info

ID:	392267
PubChem CID:	135014041
Reduced:	BrNOC15H22 (1)
Stoich.:	ABCD15E22 (1)
Weight, g/mol:	367.126717
ΔH_f, kcal/mol:	-54.58
Dipole, Da:	6.35
IP(EA), eV:	-9.66(-0.26)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,5S)-3-acetamido-4,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl] (E)-3-(4-hydroxyphenyl)prop-2-enoate

Drug info:

PubChemData

Smile

CCCCN(C1=CC=CC(=C1)C)C(=O)C(C)(C)Br

DOS

IR

Vibrations