Geometry & MOs

Info

ID:	82701
PubChem CID:	49856366
Reduced:	O7H30C32 (1)
Stoich.:	A7B30C32 (1)
Weight, g/mol:	634.142622
ΔH_f, kcal/mol:	-235.07
Dipole, Da:	6.31
IP(EA), eV:	-9.32(-0.63)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[(9R,10R)-2-ethyl-8,8-dimethyl-4-oxo-9-[4-(trifluoromethyl)benzoyl]oxy-9,10-dihydropyrano[2,3-f]chromen-10-yl] 4-(trifluoromethyl)benzoate

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

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C)(C)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

CCC1=CC(=O)C2=C(O1)C3=C(C=C2)OC([C@@H]([C@@H]3OC(=O)C4=CC=C(C=C4)C)OC(=O)C5=CC=C(C=C5)C)(C)C

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):