Geometry & MOs

Info

ID:	439022
PubChem CID:	135228785
Reduced:	ON3C30H35 (1)
Stoich.:	AB3C30D35 (1)
Weight, g/mol:	640.273106
ΔH_f, kcal/mol:	39.53
Dipole, Da:	4.68
IP(EA), eV:	-7.45(-0.6)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(2R,4S)-2-[(3S)-3-[[(2R,5S,6R)-3,5-dihydroxy-6-(hydroxymethyl)oxan-2-yl]oxymethyl]-4-(4-hydroxy-3-methoxyphenyl)-2-[(4-hydroxy-3-methoxyphenyl)methyl]butoxy]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

CCOC(=C)C1=CN2C(CC3=C(C2=CC1=C)C=CC(=C3)C4=CN=C(C=C4)NC(=C)C)C(C)(C)C

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

CCOC(=C)C1=CN2C(CC3=C(C2=CC1=C)C=CC(=C3)C4=CN=C(C=C4)NC(=C)C)C(C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):