Geometry & MOs

Info

ID:	191138
PubChem CID:	78109726
Reduced:	SN5O5C19H27 (1)
Stoich.:	AB5C5D19E27 (1)
Weight, g/mol:	754.429213
ΔH_f, kcal/mol:	-169.46
Dipole, Da:	9.66
IP(EA), eV:	-8.41(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-cyclohexyl-21',24'-dihydroxy-12'-(5-hydroxy-4-methoxy-6-methyloxan-2-yl)oxy-3,11',13',22'-tetramethylspiro[2,3-dihydropyran-6,6'-3,7,19-trioxatetracyclo[15.6.1.14,8.020,24]pentacosa-10,14,16,22-tetraene]-2'-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

CCS(=O)(=O)OC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC(C)C(C)C)C(=O)N)OC

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

CCS(=O)(=O)OC1=C(C=CC(=C1)NC2=NC=C(C(=N2)NC(C)C(C)C)C(=O)N)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):