Geometry & MOs

Info

ID:

44488

PubChem CID:

10503763

Reduced:

O5N9C18H29 (1)

Stoich.:

A5B9C18D29 (1)

Weight, g/mol:

451.199488

ΔHf, kcal/mol:

-144.52

Dipole, Da:

5.2

IP(EA), eV:

 -8.44(-0.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[(S)-[(3aR,5R,6S,6aR)-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-5-yl]-(furan-2-yl)methyl]-N-benzylhydroxylamine

Drug info:

PubChemData

Smile

CN(C)C1=NC=NC2=C1N=CN2CCOCCOC(=O)N[C@H](CCCN=C(N)N)C(=O)O

DOS

IR

Vibrations