Geometry & MOs

Info

ID:

443164

PubChem CID:

135257915

Reduced:

SN4O8H40C42 (1)

Stoich.:

AB4C8D40E42 (1)

Weight, g/mol:

732.225385

ΔHf, kcal/mol:

-225.5

Dipole, Da:

8.54

IP(EA), eV:

 -8.69(-1.42)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

naphthalen-1-yl N-[6-[2-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]ethylamino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2OC(=O)NCCCCCC(=O)NCCCCNC(=S)NC3=CC4=C(C=C3)C5(C6=C(C=C(C=C6)O)OC7=C5C=CC(=C7)O)OC4=O

DOS

IR

Vibrations