Geometry & MOs

Info

ID:

326873

PubChem CID:

126688467

Reduced:

N13O17C47H75 (2)

Stoich.:

A13B17C47D75 (2)

Weight, g/mol:

450.153934

ΔHf, kcal/mol:

-1339.59

Dipole, Da:

12.81

IP(EA), eV:

 -9.14(-1.16)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

N-[1-(3-hydroxypropyl)-5-(3-oxomorpholin-4-yl)benzimidazol-2-yl]-1-oxo-3H-2-benzofuran-5-carboxamide

Drug info:

PubChemData

Smile

C1CN(CCN(CCN(CCN1CC(CN2C=C(N=N2)C3=CC(=C(C(=C3)C4=CN(N=N4)CC(CN5CCN(CCN(CCN(CC5)CC(=O)O)CC(=O)O)CC(=O)O)O)OCCCCC(=O)NCCCCC(C(=O)O)NC(=O)CCCCCCC(=O)NCCCC[C@@H](C(=O)O)NC(=O)N[C@@H](CCC(=O)O)C(=O)O)C6=CN(N=N6)CC(CN7CCN(CCN(CCN(CC7)CC(=O)O)CC(=O)O)CC(=O)O)O)O)CC(=O)O)CC(=O)O)CC(=O)O

DOS

IR

Vibrations