Geometry & MOs

Info

ID:

441509

PubChem CID:

135235544

Reduced:

O8C29H36 (1)

Stoich.:

A8B29C36 (1)

Weight, g/mol:

475.185569

ΔHf, kcal/mol:

-290.85

Dipole, Da:

4.06

IP(EA), eV:

 -8.32(-0.52)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(2R,4R,5S,6S)-4-(azidomethyl)-11-methyl-5-phenylmethoxy-4-(phenylmethoxymethyl)-3,7-dioxa-1,9-diazatricyclo[6.4.0.02,6]dodeca-8,11-dien-10-one

Drug info:

PubChemData

Smile

CCOC1=C(C=CC(=C1)OC(C)OC(=O)C=C)C(C)(C)C2=C(C=C(C=C2)OC(C)OC(=O)C=C)OCC

DOS

IR

Vibrations