Geometry & MOs

Info

ID:	406165
PubChem CID:	135076735
Reduced:	Br2N2O7H16C19 (1)
Stoich.:	A2B2C7D16E19 (1)
Weight, g/mol:	986.280861
ΔH_f, kcal/mol:	-234.64
Dipole, Da:	8.25
IP(EA), eV:	-9.96(-1.25)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

dibenzyl [(1R,4R)-2-bis(phenylmethoxy)phosphoryloxy-3,5,6-tris(methoxymethoxy)-4-phenylmethoxyphosphonoyloxycyclohexyl] phosphate

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)O[C@@H]1[C@@H]([C@H](OC1N2C=CC(=O)NC2=O)C=C(Br)Br)OC(=O)C3=CC=CC=C3

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)O[C@@H]1[C@@H]([C@H](OC1N2C=CC(=O)NC2=O)C=C(Br)Br)OC(=O)C3=CC=CC=C3

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):