Geometry & MOs

Info

ID:

440454

PubChem CID:

135230431

Reduced:

O4N5C25H31 (1)

Stoich.:

A4B5C25D31 (1)

Weight, g/mol:

1185.385717

ΔHf, kcal/mol:

-52.51

Dipole, Da:

3.92

IP(EA), eV:

 -8.51(-0.54)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[[3,4-dimethoxy-5-[2-[[4-(3-methoxypropoxy)-3-methylpyridin-2-yl]methylsulfanyl]-1-(1-methyltetrazol-5-yl)benzimidazol-5-yl]pyridin-2-yl]methylsulfanyl]-5-[[4-methoxy-5-methyl-6-[[1-(1-methyltetrazol-5-yl)benzimidazol-2-yl]sulfanylmethyl]pyridin-3-yl]methyl]-1-(1-methyltetrazol-5-yl)benzimidazole

Drug info:

PubChemData

Smile

C[C@H]1[C@@H](CN(O1)CCOC)NC(=O)NC2=C(C(=NN2C3=CC=CC=C3)C4=CC=C(C=C4)OC)C

DOS

IR

Vibrations