Geometry & MOs

Info

ID:

318567

PubChem CID:

126651905

Reduced:

S3N9O11H27C38 (1)

Stoich.:

A3B9C11D27E38 (1)

Weight, g/mol:

238.10659

ΔHf, kcal/mol:

-124.31

Dipole, Da:

12.3

IP(EA), eV:

 -8.94(-2.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

8-(azidomethyl)spiro[1,2,5,7-tetrahydropyrrolizine-6,2'-1,3-dioxolane]-3-one

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)NN=C2C=CC3=C(C=C(C(=C3C2=O)N)N=NC4=C(C5=C(C=C4)C(=O)C(=NNC6=CC=C(C=C6)N=NC7=CC=CC=C7)C(=C5)S(=O)(=O)O)S(=O)(=O)O)S(=O)(=O)O

DOS

IR

Vibrations