Geometry & MOs

Info

ID:

378776

PubChem CID:

134224874

Reduced:

SN2H18C31 (1)

Stoich.:

AB2C18D31 (1)

Weight, g/mol:

555.111542

ΔHf, kcal/mol:

146.68

Dipole, Da:

2.06

IP(EA), eV:

 -8.25(-0.96)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

20-naphtho[2,1-b][1]benzothiol-10-yl-12-thia-16-azahexacyclo[11.11.0.02,11.04,9.015,23.017,22]tetracosa-1(13),2,4,6,8,10,14,17(22),18,20,23-undecaene

Drug info:

PubChemData

Smile

C1=CC=C2C=C3C(=CC2=C1)C4=CC5=C(C=C4N3)SC6=C5C=C(C=C6)C7=CC=CC8=C7C=CN=C8

DOS

IR

Vibrations