Geometry & MOs

Info

ID:	88872
PubChem CID:	49957354
Reduced:	OSN7C17H19 (1)
Stoich.:	ABC7D17E19 (1)
Weight, g/mol:	416.153164
ΔH_f, kcal/mol:	108.06
Dipole, Da:	2.8
IP(EA), eV:	-9.2(-1.36)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

12-[(1-methylbenzimidazol-2-yl)methylsulfanyl]-8-propan-2-yl-1,8,10,11,13,14-hexazatetracyclo[7.6.0.02,7.011,15]pentadeca-2,4,6,9,12,14-hexaene

Drug info:

PubChemData

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C1CCC(CC1)NC(=O)CSC2=NN=C3N2NC4=NC5=CC=CC=C5N43

DOS

IR

Vibrations