Geometry & MOs

Info

ID:

427788

PubChem CID:

135162953

Reduced:

NSH31C46 (1)

Stoich.:

ABC31D46 (1)

Weight, g/mol:

766.309647

ΔHf, kcal/mol:

194.24

Dipole, Da:

2.56

IP(EA), eV:

 -7.99(-0.88)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

(6Z)-6-[phenyl-[[19-(9-phenylcarbazol-3-yl)-9-azahexacyclo[15.8.0.02,10.03,8.011,16.020,25]pentacosa-1(17),2(10),3,5,7,11,13,15,18,20,22,24-dodecaen-9-yl]methylideneamino]methylidene]cyclohexa-2,4-dien-1-amine

Drug info:

PubChemData

Smile

C/C=C(\C=C\1/CSC2=CC=CC=C12)/C3=CC4=C(C=C3)N(C5=C4C6=C(C=CC7=CC=CC=C76)C8=CC=CC=C85)C9=CC1=CC=CC=C1C=C9

DOS

IR

Vibrations