Geometry & MOs

Info

ID:	222567
PubChem CID:	85305535
Reduced:	BrC21H39 (1)
Stoich.:	AB21C39 (1)
Weight, g/mol:	372.142032
ΔH_f, kcal/mol:	-62.14
Dipole, Da:	2.18
IP(EA), eV:	-9.59(-0.04)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

methyl 3-[4-methoxy-2-[3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxyphenyl]propanoate

Drug info:

PubChemData

Smile

CC(C)C=CCCCCCCCC=CCCCCCCCBr

DOS

IR

Vibrations