Geometry & MOs

Info

ID:

377706

PubChem CID:

134223770

Reduced:

OSN5C20H21 (1)

Stoich.:

ABC5D20E21 (1)

Weight, g/mol:

680.192235

ΔHf, kcal/mol:

45.18

Dipole, Da:

3.45

IP(EA), eV:

 -8.51(-1.06)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

12-phenyl-3-(14-phenyl-9-thia-14-azapentacyclo[11.7.0.02,10.03,8.015,20]icosa-1(13),2(10),3,5,7,11,15(20),16,18-nonaen-17-yl)-[1]benzofuro[2,3-a]carbazole

Drug info:

PubChemData

Smile

CC1=CC2=NC(=NN2C3=C1C(=C(S3)C(N[C@H]4CCC5=CC=CC=C45)O)N)C

DOS

IR

Vibrations