Geometry & MOs

Info

ID:	307838
PubChem CID:	125309773
Reduced:	O2N3C5H7 (2)
Stoich.:	A2B3C5D7 (2)
Weight, g/mol:	505.194796
ΔH_f, kcal/mol:	-85.3
Dipole, Da:	6.76
IP(EA), eV:	-10.17(-1.89)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(6R,8R)-8-[(2S,4S,5S,6R)-4-amino-5-hydroxy-6-methyloxan-2-yl]oxy-6,9,10-trihydroxy-6-(2-hydroxyacetyl)-2-(1-methoxyethenyl)-4,5,7,8-tetrahydroanthracen-1-one

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

C1N=C2C(=NC(=NC2=O)N)N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)N

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

C1N=C2C(=NC(=NC2=O)N)N1[C@H]3[C@H]([C@@H]([C@H](O3)CO)O)N

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):