Geometry & MOs

Info

ID:	46257
PubChem CID:	10523526
Reduced:	NH25C28 (1)
Stoich.:	AB25C28 (1)
Weight, g/mol:	375.024384
ΔH_f, kcal/mol:	114.58
Dipole, Da:	1.91
IP(EA), eV:	-8.12(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(4,5-dimethyl-1,3-dithiol-2-ylidene)-4,6-dimethyl-5-phenyl-[1,3]dithiolo[4,5-c]pyrrole

Drug info:

PubChemData

Smile

C1=CC=C(C=C1)/C=C/CN(CC2=CC=C(C=C2)C3=CC=CC=C3)C4=CC=CC=C4

DOS

IR

Vibrations