Geometry & MOs

Info

ID:	308600
PubChem CID:	126497132
Reduced:	OC5H8 (8)
Stoich.:	AB5C8 (8)
Weight, g/mol:	545.192569
ΔH_f, kcal/mol:	-442.04
Dipole, Da:	1.47
IP(EA), eV:	-9.42(-0.05)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[3-(benzimidazolo[1,2-a]benzimidazol-5-yl)phenyl]-triphenyl-lambda4-sulfane

Drug info:

PubChemData

Smile

CCC(CC)C(=O)OC[C@@]12[C@@H](CC3C(=CCC4[C@]3(CCC5[C@@]4(CC[C@@H]([C@]5(C)COC(=O)/C(=C/C)/C)O)C)C)C1CC([C@H]([C@@H]2O)O)(C)C)O

DOS

IR

Vibrations