Geometry & MOs

Info

ID:

446522

PubChem CID:

135275644

Reduced:

SO6H40C44 (1)

Stoich.:

AB6C40D44 (1)

Weight, g/mol:

498.263091

ΔHf, kcal/mol:

-158.42

Dipole, Da:

8.56

IP(EA), eV:

 -8.12(-1.32)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

3-[3-amino-4-[amino(ethyl)amino]-2-methylphenyl]-3-(12-benzoyl-12-azatricyclo[7.2.1.02,7]dodeca-2(7),3,5-trien-4-yl)propanoic acid

Drug info:

PubChemData

Smile

CC1=C2C=C(C=CC2=C(C3=CC=CC=C13)CSC4CCCCOC4=O)C5=CC6=C(C7=CC=CC=C7C(=C6C=C5)C(=O)OC8CCCCOC8=O)C

DOS

IR

Vibrations