Geometry & MOs

Info

ID:	402206
PubChem CID:	135054927
Reduced:	O2C15H16 (1)
Stoich.:	A2B15C16 (1)
Weight, g/mol:	1146.403786
ΔH_f, kcal/mol:	-47.21
Dipole, Da:	2.21
IP(EA), eV:	-8.99(-0.55)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

benzyl 2-[[3,4,5-tribenzoyloxy-6-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxymethyl]oxan-2-yl]oxymethyl]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

C/C=C/[C@H]([C@@H](C1=CC2=CC=CC=C2C=C1)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

C/C=C/[C@H]([C@@H](C1=CC2=CC=CC=C2C=C1)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):