Geometry & MOs

Info

ID:

169933

PubChem CID:

75169162

Reduced:

SO2N8C20H20 (1)

Stoich.:

AB2C8D20E20 (1)

Weight, g/mol:

564.193023

ΔHf, kcal/mol:

61.6

Dipole, Da:

1.84

IP(EA), eV:

 -9.17(-1.8)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-(1,3-benzodioxol-5-ylmethyl)-15,15-dimethyl-11-(4-methylphenyl)sulfonyl-14,16,18-trioxa-3,11-diazatetracyclo[10.6.0.04,9.013,17]octadeca-4,6,8-triene

Drug info:

PubChemData

Smile

CC1=CC(=NC2=NNC(=C12)NN=C(C#N)C(=O)NC3=C(C4=C(S3)CCCC4)C(=O)N)C

DOS

IR

Vibrations