Geometry & MOs

Info

ID:	214880
PubChem CID:	85083790
Reduced:	PN4O8C32H33 (1)
Stoich.:	AB4C8D32E33 (1)
Weight, g/mol:	632.21752
ΔH_f, kcal/mol:	-236.11
Dipole, Da:	15.51
IP(EA), eV:	-9.26(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[5-[[(4-methoxyphenyl)-diphenylmethoxy]methyl]-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] methyl phenyl 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

C1CCC(C1)(CP(=O)(C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)NC(C4=CNC5=CC=CC=C54)C(=O)O

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

C1CCC(C1)(CP(=O)(C(CC2=CC=CC=C2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])O)C(=O)NC(C4=CNC5=CC=CC=C54)C(=O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):