Geometry & MOs

Info

ID:	233592
PubChem CID:	91145554
Reduced:	ClPSN3O5C14H23 (1)
Stoich.:	ABCD3E5F14G23 (1)
Weight, g/mol:	954.549328
ΔH_f, kcal/mol:	-245.71
Dipole, Da:	6.45
IP(EA), eV:	-8.45(-0.13)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[1-(4-hydroxy-2,5-dimethylphenyl)butyl]-2,5-dimethylphenol;[2-[3-[1-[3-(4-hydroxy-3,5-dimethylphenyl)propanoyloxy]-2-methylpropan-2-yl]-2,4,8,10-tetraoxaspiro[5.5]undecan-9-yl]-2-methylpropyl] 3-(4-hydroxy-3,5-dimethylphenyl)propanoate

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

CCOP(=O)(CC)OCS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl

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

CCOP(=O)(CC)OCS(=O)(=O)N1CCN(CC1)C2=NC=C(C=C2)Cl

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):