Geometry & MOs

Info

ID:	319884
PubChem CID:	126657466
Reduced:	NO8C12H25 (1)
Stoich.:	AB8C12D25 (1)
Weight, g/mol:	959.497233
ΔH_f, kcal/mol:	-375.68
Dipole, Da:	1.28
IP(EA), eV:	-9.92(0.56)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

6-phenyl-N-[(E,2S,3S,4R)-1-[[2-phenyl-7,8-bis(phenylmethoxy)-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-3,4-bis(phenylmethoxy)oct-6-en-2-yl]hexanamide

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[C@H]([C@H]([C@H](CO[C@@H]1C(C([C@H](C(O1)CO)O)O)O)N)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

CC[C@H]([C@H]([C@H](CO[C@@H]1C(C([C@H](C(O1)CO)O)O)O)N)O)O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):