Geometry & MOs

Info

ID:	326059
PubChem CID:	126686288
Reduced:	N3O7C23H27 (1)
Stoich.:	A3B7C23D27 (1)
Weight, g/mol:	471.20055
ΔH_f, kcal/mol:	-171.85
Dipole, Da:	2.85
IP(EA), eV:	-8.88(-0.21)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(4aR,6S,7S,8R,8aR)-6-(3-azidopropoxy)-8-[(4-methoxyphenyl)methoxy]-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-7-ol

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

COC1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@H](O[C@H]3[C@H]2OC(OC3)C4=CC=CC=C4)OCCN=[N+]=[N-])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

COC1=CC=C(C=C1)CO[C@@H]2[C@@H]([C@H](O[C@H]3[C@H]2OC(OC3)C4=CC=CC=C4)OCCN=[N+]=[N-])O

DOS

IR

Vibrations

ΔH_f, kcal/mol:

Spin(S_z, S²):