Geometry & MOs

Info

ID:	436793
PubChem CID:	135211570
Reduced:	N2S2O3C58H90 (1)
Stoich.:	A2B2C3D58E90 (1)
Weight, g/mol:	718.564859
ΔH_f, kcal/mol:	-195.38
Dipole, Da:	0.94
IP(EA), eV:	-8.14(-1.46)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3,6-bis(furan-2-yl)-2,5-bis(2-hexyldecyl)-1-hydroxy-1H-pyrrolo[3,4-c]pyrrol-4-one

Drug info:

PubChemData

Smile

CCCCCCCCC(CCCCCC)CN1C(=C2C(=C(N(C2=O)CC(CCCCCC)CCCCCCCC)C3=CC=C(S3)C4=CC=C(S4)C(C)(C)C)C1=O)C5=CC=C(O5)C(C)(C)C

DOS

IR

Vibrations