Geometry & MOs

Info

ID:

163648

PubChem CID:

58106532

Reduced:

SH10C19 (2)

Stoich.:

AB10C19 (2)

Weight, g/mol:

604.044785

ΔHf, kcal/mol:

256.28

Dipole, Da:

0.19

IP(EA), eV:

 -7.73(-2.34)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

4,13-bis(5-phenylthiophen-2-yl)-3,12-dithiahexacyclo[8.8.2.02,6.07,19.011,15.016,20]icosa-1(19),2(6),4,7,9,11(15),13,16(20),17-nonaene

Drug info:

PubChemData

Smile

C1=CC=C2C(=C1)C=CC=C2C3=CC4=C5C=CC6=C7C(=C8C6=C5C(=C4S3)C=C8)C=C(S7)C9=CC=CC1=CC=CC=C19

DOS

IR

Vibrations