Geometry & MOs

Info

ID:

379127

PubChem CID:

134353457

Reduced:

NC27H31 (1)

Stoich.:

AB27C31 (1)

Weight, g/mol:

1517.489587

ΔHf, kcal/mol:

51.03

Dipole, Da:

1.73

IP(EA), eV:

 -8.64(0.2)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

13'-[4-[4-[10'-(4-carbazol-9-ylphenyl)spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2(7),3,5,8(20),9,11,14,16,18-nonaene-13,21'-14-thia-10-azapentacyclo[11.8.0.03,11.04,9.015,20]henicosa-1(13),2,4,6,8,11,15,17,19-nonaene]-5-yl]carbazol-9-yl]phenyl]spiro[1-azapentacyclo[10.7.1.02,7.08,20.014,19]icosa-2,4,6,8(20),9,11,14,16,18-nonaene-13,7'-chromeno[2,3-a]carbazole]

Drug info:

PubChemData

Smile

CC/C(=C(\C1=CC=C(C=C1)C)/C2=CC=C(C=C2)CCCNC)/C3=CC=CC=C3

DOS

IR

Vibrations