Geometry & MOs

Info

ID:	49668
PubChem CID:	11533498
Reduced:	SO2N8C25H28 (1)
Stoich.:	AB2C8D25E28 (1)
Weight, g/mol:	504.274993
ΔH_f, kcal/mol:	81.82
Dipole, Da:	4.76
IP(EA), eV:	-8.74(-1.28)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

[4-[[4-[2-(4-tert-butylphenyl)-1H-benzimidazol-4-yl]piperazin-1-yl]methyl]-1H-benzimidazol-2-yl]cyanamide

Drug info:

PubChemData

Smile

CCNC(=O)C1=CC2=C(N=C(N=C2S1)N)/C(=N\OCCN3CCCC3)/C4=CC=C(C=C4)N5C=CC=N5

DOS

IR

Vibrations