Geometry & MOs

Info

ID:

341713

PubChem CID:

127264406

Reduced:

SnS2C37H45 (2)

Stoich.:

AB2C37D45 (2)

Weight, g/mol:

723.289552

ΔHf, kcal/mol:

116.35

Dipole, Da:

0.39

IP(EA), eV:

 -7.91(-1.0)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13-chloro-2-[4-[5-[1-(13-chloro-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-2-yl)-2-methylidenepiperidin-4-yl]pyridin-3-yl]-2-methylidenepiperidin-1-yl]-4-azatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaene

Drug info:

PubChemData

Smile

CCCCCCC1=CC=C(C=C1)C2(C3=CC4=C(C=C3C5=C2C6=C(S5)C=C(S6)[Sn](C)(C)C)C(C7=C4SC8=C7SC(=C8)[Sn](C)(C)C)(C9=CC=C(C=C9)CCCCCC)C1=CC=C(C=C1)CCCCCC)C1=CC=C(C=C1)CCCCCC

DOS

IR

Vibrations