Geometry & MOs

Info

ID:

83734

PubChem CID:

49860763

Reduced:

ClO6N14C62H89 (1)

Stoich.:

AB6C14D62E89 (1)

Weight, g/mol:

572.183985

ΔHf, kcal/mol:

-172.21

Dipole, Da:

9.73

IP(EA), eV:

 -8.2(-0.56)

Spin(Sz, S2):

 None, None

Charge, e:

 0

Chem-info

IUPAC name:

2-[4-[5-[4-(6-carbamimidoyl-1H-benzimidazol-2-yl)phenyl]furan-2-yl]phenyl]-3H-benzimidazole-5-carboximidamide;hydrochloride

Drug info:

PubChemData

Smile

COC1=C(C=C2C(=C1)C(=NC(=N2)N3CCN(CC3)C(=O)C4=CC=CC(=C4)CNCCCCCCNCCCCCCNCCCCCCNCC5=CC(=CC=C5)C(=O)N6CCN(CC6)C7=NC8=CC(=C(C=C8C(=N7)N)OC)OC)N)OC.Cl

DOS

IR

Vibrations