Geometry & MOs

Info

ID:	404594
PubChem CID:	135067295
Reduced:	NH10C12 (2)
Stoich.:	AB10C12 (2)
Weight, g/mol:	618.081565
ΔH_f, kcal/mol:	125.52
Dipole, Da:	2.57
IP(EA), eV:	-7.95(-0.71)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[(4-benzoyl-2-phenylthiophen-3-yl)methyldisulfanyl]methyl]-5-phenylthiophen-3-yl]-phenylmethanone

Drug info:

PubChemData

Smile

CN1C2=CC=CC=C2C(=C1/C=C/C3=CC=CC=C3)N=CC4=CC=CC=C4

DOS

IR

Vibrations