Geometry & MOs

Info

ID:

443163

PubChem CID:

135257914

Reduced:

N12C45H56 (1)

Stoich.:

A12B45C56 (1)

Weight, g/mol:

760.256685

ΔHf, kcal/mol:

139.96

Dipole, Da:

3.73

IP(EA), eV:

 -7.7(-0.25)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

naphthalen-1-yl N-[6-[4-[(3',6'-dihydroxy-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-yl)carbamothioylamino]butylamino]-6-oxohexyl]carbamate

Drug info:

PubChemData

Smile

CC1=CN(C2=NC(=NC=C12)NC3=CC(=C(C=C3)N4CCNCC4)C5CCC(C5)N6C=C(C7=CN=C(N=C76)NC8=CC=C(C=C8)N9CCNCC9)C)C1CCCCC1

DOS

IR

Vibrations