Geometry & MOs

Info

ID:	394336
PubChem CID:	135022782
Reduced:	S2Si3O7C37H76 (1)
Stoich.:	A2B3C7D37E76 (1)
Weight, g/mol:	506.210193
ΔH_f, kcal/mol:	-567.57
Dipole, Da:	3.07
IP(EA), eV:	-8.74(0.15)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(7,10-dipentyl-9-thiophen-2-ylfluoranthen-8-yl)thiophene

Drug info:

PubChemData

Smile

C[C@H]1[C@H](CC[C@@H](O1)S[C@H]2[C@@H](C[C@@H](OC2C)SC3[C@@H](C[C@@H](OC3C)OC)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C

DOS

IR

Vibrations