Geometry & MOs

Info

ID:	386569
PubChem CID:	134982179
Reduced:	O5C14H20 (1)
Stoich.:	A5B14C20 (1)
Weight, g/mol:	568.340004
ΔH_f, kcal/mol:	-182.32
Dipole, Da:	1.53
IP(EA), eV:	-9.61(-0.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

tert-butyl (2E,4E)-5-[(2S,3S)-3-[(2R,3'S,4aS,5'R,6S,8aR)-3',4a-dimethyl-5'-(phenylmethoxymethyl)spiro[3,4,6,7,8,8a-hexahydropyrano[3,2-b]pyran-2,2'-oxolane]-6-yl]oxiran-2-yl]-3,4-dimethylpenta-2,4-dienoate

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

CC(=O)OC/C=C/C=C/[C@@H]1[C@H](O1)CCCC(=O)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

CC(=O)OC/C=C/C=C/[C@@H]1[C@H](O1)CCCC(=O)OC

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):