Geometry & MOs

Info

ID:	327159
PubChem CID:	126689125
Reduced:	N2F4C19H20 (1)
Stoich.:	A2B4C19D20 (1)
Weight, g/mol:	710.393971
ΔH_f, kcal/mol:	-147.02
Dipole, Da:	3.15
IP(EA), eV:	-9.43(-0.39)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

(3E)-1-dodecyl-3-(1-dodecyl-2-oxo-[1]benzothiolo[3,2-b]pyrrol-3-ylidene)-[1]benzothiolo[3,2-b]pyrrol-2-one

Drug info:

PubChemData

Smile

C1CC1CCC(C2=CC=CC=C2)(C3=CC(=C(C=C3)F)NC(F)(F)F)N

DOS

IR

Vibrations