Geometry & MOs

Info

ID:

378554

PubChem CID:

134224644

Reduced:

NC25H37 (1)

Stoich.:

AB25C37 (1)

Weight, g/mol:

617.156184

ΔHf, kcal/mol:

-23.36

Dipole, Da:

2.25

IP(EA), eV:

 -8.64(-0.38)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-(2-naphthalen-2-yl-[1]benzothiolo[2,3-d]pyrimidin-4-yl)-16-oxa-12-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17,19,21,23-undecaene

Drug info:

PubChemData

Smile

CCCNCC1=CC2=C(C=C1)C=C(C=C2)CC3CCC(CC3)C(C)(C)C

DOS

IR

Vibrations