Geometry & MOs

Info

ID:	44866
PubChem CID:	10506243
Reduced:	BrCl2N2O7H17C18 (1)
Stoich.:	AB2C2D7E17F18 (1)
Weight, g/mol:	524.17412
ΔH_f, kcal/mol:	-281.24
Dipole, Da:	4.7
IP(EA), eV:	-9.15(-0.94)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(2S,3aS,5R,6R,7S,7aS)-6,7-diacetyloxy-2-methyl-2-[[(2R,3S,4S,5S,6S)-3,4,5-trihydroxy-6-methoxyoxan-2-yl]methoxy]-5,6,7,7a-tetrahydro-3aH-[1,3]dioxolo[4,5-b]pyran-5-yl]methyl acetate

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

CC(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)N2C3=C(C(=C(C=C3)Cl)Cl)N=C2Br)OC(=O)C)OC(=O)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

CC(=O)OC[C@@H]1[C@H]([C@H]([C@H](O1)N2C3=C(C(=C(C=C3)Cl)Cl)N=C2Br)OC(=O)C)OC(=O)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):