Geometry & MOs

Info

ID:

188357

PubChem CID:

77704089

Reduced:

ClS2O3N6C23H25 (1)

Stoich.:

AB2C3D6E23F25 (1)

Weight, g/mol:

518.299202

ΔHf, kcal/mol:

9.45

Dipole, Da:

4.31

IP(EA), eV:

 -8.58(-1.27)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[1-(6-heptoxyspiro[3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole-2,1'-cyclohexane]-5-yl)ethylcarbamoylamino]phenyl]acetic acid

Drug info:

PubChemData

Smile

C1CN(CCC1NC2=CC=CC(=C2)C3=C(C(=O)C(=C4NNNN4)S3)Cl)S(=O)(=O)CC5=CC=CC=C5

DOS

IR

Vibrations