Geometry & MOs

Info

ID:	312650
PubChem CID:	126607169
Reduced:	O6C29H32 (1)
Stoich.:	A6B29C32 (1)
Weight, g/mol:	508.209718
ΔH_f, kcal/mol:	-205.93
Dipole, Da:	1.54
IP(EA), eV:	-8.82(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2S,3R,4R,6R)-2-[3-[[4-(1,3-dihydro-2-benzofuran-1-ylmethoxy)phenyl]methyl]-4-methoxyphenyl]-6-(hydroxymethyl)oxane-3,4,5-triol

Drug info:

PubChemData

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔH_f, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(S_z, S²):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=C(C=C1)[C@H]2C[C@H]([C@@H]([C@H](O2)CO)O)O)CC3=CC=C(C=C3)OCC4C5=CC=CC=C5CO4

DOS

IR

Vibrations

Geometry & MOs

Info

ID:

PubChem CID:

Reduced:

Stoich.:

Weight, g/mol:

ΔHf, kcal/mol:

Dipole, Da:

IP(EA), eV:

Spin(Sz, S2):

Charge, e:

Chem-info

IUPAC name:

Drug info:

Smile

CC1=C(C=C(C=C1)[C@H]2C[C@H]([C@@H]([C@H](O2)CO)O)O)CC3=CC=C(C=C3)OCC4C5=CC=CC=C5CO4

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):