Geometry & MOs

Info

ID:

191170

PubChem CID:

78114247

Reduced:

SN3O3C18H21 (2)

Stoich.:

AB3C3D18E21 (2)

Weight, g/mol:

464.17475

ΔHf, kcal/mol:

-106.48

Dipole, Da:

11.37

IP(EA), eV:

 -8.87(-0.71)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[1-[(5-fluoro-1,3-dioxoisoindol-2-yl)methyl]-3,4-dihydro-1H-isoquinoline-2-carbonyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CN(CCCN1C2=C(C=C(C=C2)CNCC(C3=CC(=C(C=C3)O)NC=O)O)N=N1)C4CCC(CC4)C5=C(SC=C5)C(C6=CC=CS6)(C(=O)O)O

DOS

IR

Vibrations